USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1058 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 HIS : no HE2:sc= 0.995 K(o=0.28,f=-7.2!) USER MOD Set 1.2: B 112 GLN : amide:sc= -0.715! C(o=0.28!,f=-4.6!) USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.568 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 146:sc= 2.68 (180deg=0.848) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0.823 K(o=3,f=-5.4!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -167:sc= 2.24 (180deg=0.924) USER MOD Set 3.3: B 141 MET CE :methyl 170:sc= -0.0246 (180deg=-0.0162) USER MOD Set 4.1: A 11 THR OG1 : rot 121:sc= -0.158 USER MOD Set 4.2: B 136 SER OG : rot -52:sc= 1.44 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 2.44 (180deg=2.38) USER MOD Single : A 7 HIS :FLIP no HE2:sc= 0.32 F(o=-1.1,f=0.32) USER MOD Single : A 9 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.0026) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.019 F(o=-1.7,f=-0.019) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.566 K(o=-0.57,f=-3.3!) USER MOD Single : A 24 GLN : amide:sc= 1.23 K(o=1.2,f=-0.75) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 172:sc= -6.38 (180deg=-6.69!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.193 F(o=-3!,f=-0.19) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 164:sc= -2.01! (180deg=-3.26!) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.0783 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.771 K(o=0.77,f=-0.046) USER MOD Single : A 60 SER OG : rot 142:sc= 0.687 USER MOD Single : A 64 TYR OH : rot 39:sc= 0.757 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 66 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= -0.262 (180deg=-0.297) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= 0.606 (180deg=-0.195) USER MOD Single : A 85 SER OG : rot -7:sc= 0.576 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 103 MET CE :methyl 165:sc= -0.0633 (180deg=-0.415) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 109 GLN : amide:sc= -0.0942 K(o=-0.094,f=-0.64) USER MOD Single : B 110 THR OG1 : rot 110:sc= -0.286 USER MOD Single : B 116 THR OG1 : rot 72:sc= 1.24 USER MOD Single : B 117 SER OG : rot 80:sc= 0.939 USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 121 SER OG : rot -169:sc= 1.25 USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 180:sc= -0.593 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 139 CYS SG : rot 80:sc= 0.27 USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 179:sc= -1.18 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.912 4.507 18.223 1.00 0.00 N ATOM 2 CA GLY A 1 -16.936 5.957 18.372 1.00 0.00 C ATOM 3 C GLY A 1 -17.394 6.633 17.126 1.00 0.00 C ATOM 4 O GLY A 1 -18.528 7.095 17.039 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.588 4.072 19.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.868 4.165 17.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.262 4.248 17.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.597 6.227 19.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.939 6.312 18.633 1.00 0.00 H new ATOM 10 N VAL A 2 -16.521 6.693 16.163 1.00 0.00 N ATOM 11 CA VAL A 2 -16.820 7.310 14.905 1.00 0.00 C ATOM 12 C VAL A 2 -17.479 6.277 14.015 1.00 0.00 C ATOM 13 O VAL A 2 -16.856 5.267 13.656 1.00 0.00 O ATOM 14 CB VAL A 2 -15.539 7.818 14.209 1.00 0.00 C ATOM 15 CG1 VAL A 2 -15.886 8.623 12.979 1.00 0.00 C ATOM 16 CG2 VAL A 2 -14.662 8.624 15.156 1.00 0.00 C ATOM 0 H VAL A 2 -15.577 6.313 16.229 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.476 8.163 15.080 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.964 6.945 13.901 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.970 8.972 12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.443 7.998 12.281 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.496 9.480 13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.771 8.963 14.627 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.218 9.488 15.521 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.368 8.000 16.000 1.00 0.00 H new ATOM 26 N ARG A 3 -18.700 6.512 13.648 1.00 0.00 N ATOM 27 CA ARG A 3 -19.402 5.565 12.858 1.00 0.00 C ATOM 28 C ARG A 3 -19.453 6.088 11.454 1.00 0.00 C ATOM 29 O ARG A 3 -19.584 7.300 11.225 1.00 0.00 O ATOM 30 CB ARG A 3 -20.827 5.226 13.404 1.00 0.00 C ATOM 31 CG ARG A 3 -21.957 6.204 13.053 1.00 0.00 C ATOM 32 CD ARG A 3 -21.796 7.570 13.679 1.00 0.00 C ATOM 33 NE ARG A 3 -22.830 8.487 13.197 1.00 0.00 N ATOM 34 CZ ARG A 3 -23.102 9.686 13.699 1.00 0.00 C ATOM 35 NH1 ARG A 3 -22.469 10.125 14.779 1.00 0.00 N ATOM 36 NH2 ARG A 3 -24.025 10.438 13.120 1.00 0.00 N ATOM 0 H ARG A 3 -19.226 7.353 13.885 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.867 4.616 12.894 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.106 4.239 13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -20.766 5.154 14.490 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -22.006 6.314 11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -22.907 5.777 13.374 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.854 7.487 14.764 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.810 7.970 13.442 1.00 0.00 H new ATOM 0 HE ARG A 3 -23.392 8.177 12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -21.766 9.540 15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -22.685 11.047 15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -24.519 10.095 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -24.242 11.360 13.497 1.00 0.00 H new ATOM 50 N LYS A 4 -19.297 5.219 10.547 1.00 0.00 N ATOM 51 CA LYS A 4 -19.293 5.553 9.160 1.00 0.00 C ATOM 52 C LYS A 4 -19.889 4.459 8.326 1.00 0.00 C ATOM 53 O LYS A 4 -19.264 3.433 8.066 1.00 0.00 O ATOM 54 CB LYS A 4 -17.902 5.990 8.700 1.00 0.00 C ATOM 55 CG LYS A 4 -16.719 5.133 9.170 1.00 0.00 C ATOM 56 CD LYS A 4 -15.388 5.815 8.827 1.00 0.00 C ATOM 57 CE LYS A 4 -15.204 7.123 9.594 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.035 7.885 9.126 1.00 0.00 N ATOM 0 H LYS A 4 -19.164 4.225 10.735 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.942 6.416 9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.895 6.011 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.737 7.013 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.785 4.972 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.763 4.152 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.564 5.140 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.347 6.013 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.100 7.734 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.092 6.906 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.148 8.887 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.174 7.509 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.956 7.799 8.093 1.00 0.00 H new ATOM 72 N GLY A 5 -21.108 4.701 7.896 1.00 0.00 N ATOM 73 CA GLY A 5 -21.881 3.731 7.168 1.00 0.00 C ATOM 74 C GLY A 5 -21.426 3.538 5.748 1.00 0.00 C ATOM 75 O GLY A 5 -21.986 2.722 5.025 1.00 0.00 O ATOM 0 H GLY A 5 -21.591 5.587 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -21.832 2.775 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.926 4.040 7.166 1.00 0.00 H new ATOM 79 N TRP A 6 -20.411 4.263 5.330 1.00 0.00 N ATOM 80 CA TRP A 6 -19.894 4.098 3.993 1.00 0.00 C ATOM 81 C TRP A 6 -19.127 2.798 3.848 1.00 0.00 C ATOM 82 O TRP A 6 -18.753 2.423 2.747 1.00 0.00 O ATOM 83 CB TRP A 6 -19.037 5.283 3.525 1.00 0.00 C ATOM 84 CG TRP A 6 -17.820 5.569 4.336 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.691 6.539 5.261 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.549 4.900 4.281 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.433 6.541 5.771 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.713 5.535 5.193 1.00 0.00 C ATOM 89 CE3 TRP A 6 -16.043 3.823 3.547 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.408 5.145 5.391 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.743 3.435 3.750 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.940 4.092 4.662 1.00 0.00 C ATOM 0 H TRP A 6 -19.932 4.966 5.893 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.767 4.062 3.342 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.729 5.099 2.496 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.662 6.176 3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.477 7.219 5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.081 7.191 6.474 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.665 3.305 2.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.775 5.657 6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.342 2.604 3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.920 3.765 4.801 1.00 0.00 H new ATOM 103 N HIS A 7 -18.900 2.095 4.951 1.00 0.00 N ATOM 104 CA HIS A 7 -18.167 0.833 4.894 1.00 0.00 C ATOM 105 C HIS A 7 -18.941 -0.258 4.114 1.00 0.00 C ATOM 106 O HIS A 7 -18.398 -1.314 3.820 1.00 0.00 O ATOM 107 CB HIS A 7 -17.720 0.331 6.291 1.00 0.00 C ATOM 108 CG HIS A 7 -18.803 -0.197 7.196 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.762 0.451 7.887 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -18.943 -1.529 7.514 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -20.493 -0.471 8.631 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -19.957 -1.651 8.367 1.00 0.00 N flip ATOM 0 H HIS A 7 -19.207 2.371 5.884 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.255 1.043 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.980 -0.457 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.218 1.152 6.803 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -19.926 1.458 7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.334 -2.337 7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.325 -0.265 9.288 1.00 0.00 H new ATOM 120 N GLU A 8 -20.203 0.008 3.784 1.00 0.00 N ATOM 121 CA GLU A 8 -20.970 -0.910 2.952 1.00 0.00 C ATOM 122 C GLU A 8 -20.755 -0.579 1.467 1.00 0.00 C ATOM 123 O GLU A 8 -21.178 -1.318 0.581 1.00 0.00 O ATOM 124 CB GLU A 8 -22.462 -0.855 3.274 1.00 0.00 C ATOM 125 CG GLU A 8 -23.095 0.474 2.965 1.00 0.00 C ATOM 126 CD GLU A 8 -24.591 0.448 3.072 1.00 0.00 C ATOM 127 OE1 GLU A 8 -25.134 0.705 4.166 1.00 0.00 O ATOM 128 OE2 GLU A 8 -25.264 0.171 2.059 1.00 0.00 O ATOM 0 H GLU A 8 -20.710 0.843 4.077 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.615 -1.919 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.976 -1.633 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.606 -1.080 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.700 1.226 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.813 0.779 1.957 1.00 0.00 H new ATOM 135 N HIS A 9 -20.093 0.541 1.213 1.00 0.00 N ATOM 136 CA HIS A 9 -19.816 1.026 -0.145 1.00 0.00 C ATOM 137 C HIS A 9 -18.438 0.570 -0.584 1.00 0.00 C ATOM 138 O HIS A 9 -17.913 1.003 -1.610 1.00 0.00 O ATOM 139 CB HIS A 9 -19.879 2.564 -0.201 1.00 0.00 C ATOM 140 CG HIS A 9 -21.243 3.171 -0.015 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.922 3.861 -0.998 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.034 3.228 1.084 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.064 4.307 -0.484 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.186 3.948 0.786 1.00 0.00 N ATOM 0 H HIS A 9 -19.727 1.149 1.946 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.573 0.616 -0.813 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.216 2.964 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.485 2.890 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.805 2.784 2.042 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.795 4.885 -1.029 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.963 4.156 1.414 1.00 0.00 H new ATOM 152 N VAL A 10 -17.872 -0.291 0.191 1.00 0.00 N ATOM 153 CA VAL A 10 -16.571 -0.832 -0.040 1.00 0.00 C ATOM 154 C VAL A 10 -16.617 -2.302 0.359 1.00 0.00 C ATOM 155 O VAL A 10 -17.506 -2.707 1.125 1.00 0.00 O ATOM 156 CB VAL A 10 -15.496 -0.020 0.762 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.780 0.020 2.238 1.00 0.00 C ATOM 158 CG2 VAL A 10 -14.072 -0.471 0.477 1.00 0.00 C ATOM 0 H VAL A 10 -18.317 -0.652 1.035 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.284 -0.756 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.576 1.003 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.004 0.595 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.749 0.489 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.794 -0.996 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.376 0.130 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.962 -1.521 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.856 -0.345 -0.584 1.00 0.00 H new ATOM 168 N THR A 11 -15.757 -3.093 -0.199 1.00 0.00 N ATOM 169 CA THR A 11 -15.739 -4.493 0.061 1.00 0.00 C ATOM 170 C THR A 11 -14.354 -4.869 0.564 1.00 0.00 C ATOM 171 O THR A 11 -13.385 -4.116 0.329 1.00 0.00 O ATOM 172 CB THR A 11 -15.983 -5.228 -1.256 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.030 -4.587 -1.980 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.349 -6.665 -1.018 1.00 0.00 C ATOM 0 H THR A 11 -15.041 -2.780 -0.854 1.00 0.00 H new ATOM 0 HA THR A 11 -16.500 -4.755 0.796 1.00 0.00 H new ATOM 0 HB THR A 11 -15.059 -5.199 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.694 -4.297 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.516 -7.161 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.538 -7.164 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.259 -6.714 -0.420 1.00 0.00 H new ATOM 182 N GLN A 12 -14.239 -6.024 1.231 1.00 0.00 N ATOM 183 CA GLN A 12 -12.957 -6.529 1.676 1.00 0.00 C ATOM 184 C GLN A 12 -12.015 -6.691 0.491 1.00 0.00 C ATOM 185 O GLN A 12 -10.837 -6.427 0.592 1.00 0.00 O ATOM 186 CB GLN A 12 -13.106 -7.856 2.451 1.00 0.00 C ATOM 187 CG GLN A 12 -11.774 -8.465 2.912 1.00 0.00 C ATOM 188 CD GLN A 12 -11.295 -9.683 2.100 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.701 -9.805 0.853 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -10.586 -10.534 2.623 1.00 0.00 N flip ATOM 0 H GLN A 12 -15.030 -6.622 1.470 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.529 -5.801 2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.737 -7.686 3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.624 -8.577 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.005 -7.694 2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.870 -8.760 3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.282 -10.421 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.299 -11.356 2.091 1.00 0.00 H new ATOM 199 N ASP A 13 -12.560 -7.086 -0.634 1.00 0.00 N ATOM 200 CA ASP A 13 -11.776 -7.293 -1.849 1.00 0.00 C ATOM 201 C ASP A 13 -11.140 -6.011 -2.355 1.00 0.00 C ATOM 202 O ASP A 13 -9.998 -6.035 -2.819 1.00 0.00 O ATOM 203 CB ASP A 13 -12.613 -7.945 -2.949 1.00 0.00 C ATOM 204 CG ASP A 13 -13.012 -9.356 -2.607 1.00 0.00 C ATOM 205 OD1 ASP A 13 -13.947 -9.540 -1.800 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.399 -10.305 -3.139 1.00 0.00 O ATOM 0 H ASP A 13 -13.556 -7.275 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.968 -7.973 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.509 -7.349 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.047 -7.946 -3.880 1.00 0.00 H new ATOM 211 N LEU A 14 -11.829 -4.877 -2.167 1.00 0.00 N ATOM 212 CA LEU A 14 -11.333 -3.590 -2.669 1.00 0.00 C ATOM 213 C LEU A 14 -10.188 -3.189 -1.791 1.00 0.00 C ATOM 214 O LEU A 14 -9.081 -2.940 -2.249 1.00 0.00 O ATOM 215 CB LEU A 14 -12.479 -2.523 -2.632 1.00 0.00 C ATOM 216 CG LEU A 14 -12.210 -1.077 -3.184 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.411 -0.231 -2.218 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.511 -1.105 -4.532 1.00 0.00 C ATOM 0 H LEU A 14 -12.722 -4.825 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.001 -3.668 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.324 -2.932 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.798 -2.422 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.192 -0.621 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.252 0.759 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.957 -0.137 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.447 -0.704 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.344 -0.084 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.553 -1.616 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.133 -1.635 -5.253 1.00 0.00 H new ATOM 230 N ARG A 15 -10.451 -3.223 -0.519 1.00 0.00 N ATOM 231 CA ARG A 15 -9.491 -2.825 0.453 1.00 0.00 C ATOM 232 C ARG A 15 -8.269 -3.725 0.482 1.00 0.00 C ATOM 233 O ARG A 15 -7.160 -3.244 0.486 1.00 0.00 O ATOM 234 CB ARG A 15 -10.127 -2.700 1.803 1.00 0.00 C ATOM 235 CG ARG A 15 -10.794 -3.905 2.334 1.00 0.00 C ATOM 236 CD ARG A 15 -11.580 -3.540 3.533 1.00 0.00 C ATOM 237 NE ARG A 15 -10.723 -2.858 4.537 1.00 0.00 N ATOM 238 CZ ARG A 15 -10.873 -2.889 5.861 1.00 0.00 C ATOM 239 NH1 ARG A 15 -11.962 -3.419 6.417 1.00 0.00 N ATOM 240 NH2 ARG A 15 -9.929 -2.360 6.627 1.00 0.00 N ATOM 0 H ARG A 15 -11.343 -3.530 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.124 -1.842 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.360 -2.394 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.861 -1.895 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.446 -4.338 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.053 -4.663 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.405 -2.887 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.020 -4.436 3.972 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.941 -2.311 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.697 -3.809 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.060 -3.434 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.104 -1.938 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.028 -2.375 7.642 1.00 0.00 H new ATOM 254 N SER A 16 -8.480 -5.030 0.431 1.00 0.00 N ATOM 255 CA SER A 16 -7.393 -5.986 0.450 1.00 0.00 C ATOM 256 C SER A 16 -6.559 -5.858 -0.824 1.00 0.00 C ATOM 257 O SER A 16 -5.355 -6.111 -0.815 1.00 0.00 O ATOM 258 CB SER A 16 -7.949 -7.409 0.625 1.00 0.00 C ATOM 259 OG SER A 16 -6.930 -8.402 0.661 1.00 0.00 O ATOM 0 H SER A 16 -9.407 -5.452 0.376 1.00 0.00 H new ATOM 0 HA SER A 16 -6.739 -5.777 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.528 -7.456 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.635 -7.629 -0.193 1.00 0.00 H new ATOM 0 HG SER A 16 -7.338 -9.286 0.775 1.00 0.00 H new ATOM 265 N HIS A 17 -7.200 -5.437 -1.909 1.00 0.00 N ATOM 266 CA HIS A 17 -6.515 -5.210 -3.172 1.00 0.00 C ATOM 267 C HIS A 17 -5.531 -4.056 -2.993 1.00 0.00 C ATOM 268 O HIS A 17 -4.371 -4.122 -3.419 1.00 0.00 O ATOM 269 CB HIS A 17 -7.555 -4.864 -4.243 1.00 0.00 C ATOM 270 CG HIS A 17 -7.086 -4.913 -5.649 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.239 -6.005 -6.468 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.503 -3.966 -6.393 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.752 -5.697 -7.664 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.286 -4.458 -7.675 1.00 0.00 N ATOM 0 H HIS A 17 -8.201 -5.245 -1.936 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.969 -6.101 -3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.396 -5.549 -4.138 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.933 -3.862 -4.042 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.655 -6.898 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.242 -2.975 -6.051 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.738 -6.366 -8.512 1.00 0.00 H new ATOM 282 N LEU A 18 -6.009 -3.025 -2.347 1.00 0.00 N ATOM 283 CA LEU A 18 -5.218 -1.853 -2.028 1.00 0.00 C ATOM 284 C LEU A 18 -4.122 -2.209 -1.025 1.00 0.00 C ATOM 285 O LEU A 18 -3.002 -1.756 -1.153 1.00 0.00 O ATOM 286 CB LEU A 18 -6.138 -0.728 -1.513 1.00 0.00 C ATOM 287 CG LEU A 18 -6.921 0.115 -2.573 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.490 -0.714 -3.708 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.066 0.800 -1.906 1.00 0.00 C ATOM 0 H LEU A 18 -6.974 -2.970 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.722 -1.489 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.866 -1.174 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.531 -0.043 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.201 0.817 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.019 -0.063 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.679 -1.221 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.182 -1.455 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.615 1.389 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.730 0.055 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.690 1.457 -1.122 1.00 0.00 H new ATOM 301 N VAL A 19 -4.463 -3.055 -0.057 1.00 0.00 N ATOM 302 CA VAL A 19 -3.511 -3.593 0.941 1.00 0.00 C ATOM 303 C VAL A 19 -2.351 -4.321 0.235 1.00 0.00 C ATOM 304 O VAL A 19 -1.176 -4.063 0.508 1.00 0.00 O ATOM 305 CB VAL A 19 -4.226 -4.621 1.887 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.256 -5.344 2.753 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.243 -3.964 2.764 1.00 0.00 C ATOM 0 H VAL A 19 -5.416 -3.397 0.068 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.131 -2.753 1.523 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.724 -5.331 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.792 -6.046 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.548 -5.889 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.717 -4.627 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.712 -4.713 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.756 -3.212 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.003 -3.487 2.145 1.00 0.00 H new ATOM 317 N HIS A 20 -2.710 -5.235 -0.648 1.00 0.00 N ATOM 318 CA HIS A 20 -1.759 -6.010 -1.435 1.00 0.00 C ATOM 319 C HIS A 20 -0.829 -5.076 -2.216 1.00 0.00 C ATOM 320 O HIS A 20 0.391 -5.247 -2.220 1.00 0.00 O ATOM 321 CB HIS A 20 -2.541 -6.950 -2.375 1.00 0.00 C ATOM 322 CG HIS A 20 -1.728 -7.639 -3.426 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.688 -7.211 -4.719 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.937 -8.736 -3.369 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.910 -8.012 -5.409 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.416 -8.973 -4.642 1.00 0.00 N ATOM 0 H HIS A 20 -3.684 -5.466 -0.844 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.132 -6.613 -0.778 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.037 -7.709 -1.770 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.324 -6.373 -2.867 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.182 -6.400 -5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.742 -9.328 -2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.700 -7.902 -6.463 1.00 0.00 H new ATOM 334 N LYS A 21 -1.418 -4.082 -2.836 1.00 0.00 N ATOM 335 CA LYS A 21 -0.673 -3.093 -3.576 1.00 0.00 C ATOM 336 C LYS A 21 0.213 -2.248 -2.676 1.00 0.00 C ATOM 337 O LYS A 21 1.357 -1.942 -3.047 1.00 0.00 O ATOM 338 CB LYS A 21 -1.612 -2.261 -4.427 1.00 0.00 C ATOM 339 CG LYS A 21 -1.930 -2.937 -5.737 1.00 0.00 C ATOM 340 CD LYS A 21 -3.140 -2.339 -6.419 1.00 0.00 C ATOM 341 CE LYS A 21 -3.268 -2.854 -7.853 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.464 -4.324 -7.924 1.00 0.00 N ATOM 0 H LYS A 21 -2.428 -3.936 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 21 0.010 -3.611 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.536 -2.080 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.161 -1.288 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.068 -2.860 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.104 -3.999 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.040 -2.589 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.059 -1.252 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.108 -2.357 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.372 -2.585 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.325 -4.646 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.776 -4.796 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.429 -4.561 -7.616 1.00 0.00 H new ATOM 356 N LEU A 22 -0.309 -1.880 -1.500 1.00 0.00 N ATOM 357 CA LEU A 22 0.461 -1.172 -0.482 1.00 0.00 C ATOM 358 C LEU A 22 1.741 -1.905 -0.222 1.00 0.00 C ATOM 359 O LEU A 22 2.810 -1.312 -0.289 1.00 0.00 O ATOM 360 CB LEU A 22 -0.331 -1.029 0.826 1.00 0.00 C ATOM 361 CG LEU A 22 -1.360 0.094 0.892 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.238 -0.066 2.118 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.642 1.392 1.022 1.00 0.00 C ATOM 0 H LEU A 22 -1.275 -2.066 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 22 0.675 -0.170 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.845 -1.971 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.381 -0.885 1.639 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.972 0.063 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.968 0.743 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.759 -1.022 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.620 -0.034 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.366 2.205 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.042 1.386 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.008 1.536 0.159 1.00 0.00 H new ATOM 375 N VAL A 23 1.616 -3.212 0.017 1.00 0.00 N ATOM 376 CA VAL A 23 2.760 -4.098 0.205 1.00 0.00 C ATOM 377 C VAL A 23 3.716 -3.983 -0.959 1.00 0.00 C ATOM 378 O VAL A 23 4.853 -3.738 -0.751 1.00 0.00 O ATOM 379 CB VAL A 23 2.325 -5.586 0.344 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.514 -6.532 0.222 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.646 -5.812 1.660 1.00 0.00 C ATOM 0 H VAL A 23 0.715 -3.684 0.085 1.00 0.00 H new ATOM 0 HA VAL A 23 3.250 -3.787 1.128 1.00 0.00 H new ATOM 0 HB VAL A 23 1.630 -5.797 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.172 -7.562 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.985 -6.401 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.237 -6.311 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.348 -6.857 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.332 -5.566 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.763 -5.177 1.727 1.00 0.00 H new ATOM 391 N GLN A 24 3.217 -4.118 -2.176 1.00 0.00 N ATOM 392 CA GLN A 24 4.073 -4.094 -3.370 1.00 0.00 C ATOM 393 C GLN A 24 4.926 -2.821 -3.467 1.00 0.00 C ATOM 394 O GLN A 24 6.058 -2.863 -3.958 1.00 0.00 O ATOM 395 CB GLN A 24 3.263 -4.262 -4.649 1.00 0.00 C ATOM 396 CG GLN A 24 2.483 -5.558 -4.743 1.00 0.00 C ATOM 397 CD GLN A 24 1.850 -5.720 -6.102 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.713 -5.303 -6.347 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.594 -6.304 -7.009 1.00 0.00 N ATOM 0 H GLN A 24 2.224 -4.246 -2.373 1.00 0.00 H new ATOM 0 HA GLN A 24 4.748 -4.943 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.566 -3.428 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.939 -4.199 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.147 -6.400 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.710 -5.576 -3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.528 -6.635 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.239 -6.428 -7.957 1.00 0.00 H new ATOM 408 N ALA A 25 4.378 -1.706 -3.036 1.00 0.00 N ATOM 409 CA ALA A 25 5.114 -0.464 -3.037 1.00 0.00 C ATOM 410 C ALA A 25 6.041 -0.340 -1.820 1.00 0.00 C ATOM 411 O ALA A 25 7.189 0.032 -1.949 1.00 0.00 O ATOM 412 CB ALA A 25 4.151 0.673 -3.053 1.00 0.00 C ATOM 0 H ALA A 25 3.425 -1.635 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 25 5.742 -0.445 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.700 1.615 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.532 0.613 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.516 0.624 -2.169 1.00 0.00 H new ATOM 418 N ILE A 26 5.529 -0.664 -0.642 1.00 0.00 N ATOM 419 CA ILE A 26 6.283 -0.476 0.604 1.00 0.00 C ATOM 420 C ILE A 26 7.328 -1.592 0.777 1.00 0.00 C ATOM 421 O ILE A 26 8.358 -1.427 1.432 1.00 0.00 O ATOM 422 CB ILE A 26 5.302 -0.372 1.835 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.981 0.176 3.122 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.627 -1.709 2.110 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.670 -0.862 3.994 1.00 0.00 C ATOM 0 H ILE A 26 4.597 -1.058 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 26 6.829 0.466 0.551 1.00 0.00 H new ATOM 0 HB ILE A 26 4.543 0.358 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.716 0.927 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.226 0.684 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.956 -1.609 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.056 -2.015 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.385 -2.461 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.109 -0.373 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.941 -1.602 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.454 -1.356 3.421 1.00 0.00 H new ATOM 437 N PHE A 27 7.058 -2.690 0.181 1.00 0.00 N ATOM 438 CA PHE A 27 7.912 -3.813 0.179 1.00 0.00 C ATOM 439 C PHE A 27 8.058 -4.307 -1.236 1.00 0.00 C ATOM 440 O PHE A 27 7.150 -4.981 -1.763 1.00 0.00 O ATOM 441 CB PHE A 27 7.356 -4.934 1.046 1.00 0.00 C ATOM 442 CG PHE A 27 7.447 -4.708 2.531 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.674 -4.743 3.175 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.308 -4.474 3.285 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.759 -4.549 4.542 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.389 -4.279 4.653 1.00 0.00 C ATOM 447 CZ PHE A 27 7.616 -4.316 5.281 1.00 0.00 C ATOM 0 H PHE A 27 6.195 -2.837 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 27 8.878 -3.516 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.310 -5.089 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.886 -5.855 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.573 -4.924 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.344 -4.443 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.721 -4.580 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.493 -4.098 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.683 -4.163 6.348 1.00 0.00 H new ATOM 457 N PRO A 28 9.153 -3.921 -1.913 1.00 0.00 N ATOM 458 CA PRO A 28 9.433 -4.375 -3.247 1.00 0.00 C ATOM 459 C PRO A 28 9.313 -5.847 -3.348 1.00 0.00 C ATOM 460 O PRO A 28 9.823 -6.599 -2.504 1.00 0.00 O ATOM 461 CB PRO A 28 10.848 -4.001 -3.506 1.00 0.00 C ATOM 462 CG PRO A 28 11.165 -2.909 -2.547 1.00 0.00 C ATOM 463 CD PRO A 28 10.163 -2.977 -1.430 1.00 0.00 C ATOM 0 HA PRO A 28 8.734 -3.933 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.510 -4.854 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.981 -3.668 -4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.178 -3.022 -2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.120 -1.939 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.622 -3.323 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.728 -1.999 -1.224 1.00 0.00 H new ATOM 471 N THR A 29 8.660 -6.255 -4.343 1.00 0.00 N ATOM 472 CA THR A 29 8.365 -7.581 -4.512 1.00 0.00 C ATOM 473 C THR A 29 9.452 -8.266 -5.330 1.00 0.00 C ATOM 474 O THR A 29 9.675 -7.898 -6.454 1.00 0.00 O ATOM 475 CB THR A 29 7.083 -7.652 -5.252 1.00 0.00 C ATOM 476 OG1 THR A 29 6.214 -6.587 -4.785 1.00 0.00 O ATOM 477 CG2 THR A 29 6.457 -8.923 -4.948 1.00 0.00 C ATOM 0 H THR A 29 8.308 -5.647 -5.082 1.00 0.00 H new ATOM 0 HA THR A 29 8.297 -8.080 -3.545 1.00 0.00 H new ATOM 0 HB THR A 29 7.255 -7.553 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.363 -6.623 -5.269 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.510 -8.999 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.114 -9.736 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.275 -8.992 -3.875 1.00 0.00 H new ATOM 485 N PRO A 30 10.154 -9.229 -4.755 1.00 0.00 N ATOM 486 CA PRO A 30 11.169 -9.986 -5.479 1.00 0.00 C ATOM 487 C PRO A 30 10.533 -11.082 -6.346 1.00 0.00 C ATOM 488 O PRO A 30 11.030 -11.428 -7.414 1.00 0.00 O ATOM 489 CB PRO A 30 12.008 -10.604 -4.356 1.00 0.00 C ATOM 490 CG PRO A 30 11.100 -10.690 -3.173 1.00 0.00 C ATOM 491 CD PRO A 30 10.046 -9.623 -3.348 1.00 0.00 C ATOM 0 HA PRO A 30 11.749 -9.369 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.376 -11.590 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.881 -9.989 -4.136 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.643 -11.677 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.656 -10.535 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.052 -10.006 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.223 -8.777 -2.684 1.00 0.00 H new ATOM 499 N ASP A 31 9.407 -11.588 -5.887 1.00 0.00 N ATOM 500 CA ASP A 31 8.689 -12.672 -6.534 1.00 0.00 C ATOM 501 C ASP A 31 7.236 -12.470 -6.286 1.00 0.00 C ATOM 502 O ASP A 31 6.871 -11.994 -5.223 1.00 0.00 O ATOM 503 CB ASP A 31 9.039 -14.054 -5.918 1.00 0.00 C ATOM 504 CG ASP A 31 10.465 -14.510 -6.065 1.00 0.00 C ATOM 505 OD1 ASP A 31 10.788 -15.176 -7.072 1.00 0.00 O ATOM 506 OD2 ASP A 31 11.269 -14.271 -5.155 1.00 0.00 O ATOM 0 H ASP A 31 8.954 -11.252 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 31 8.958 -12.664 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.797 -14.026 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.392 -14.804 -6.372 1.00 0.00 H new ATOM 511 N PRO A 32 6.358 -12.853 -7.213 1.00 0.00 N ATOM 512 CA PRO A 32 4.924 -12.828 -6.952 1.00 0.00 C ATOM 513 C PRO A 32 4.551 -13.906 -5.921 1.00 0.00 C ATOM 514 O PRO A 32 3.469 -13.916 -5.357 1.00 0.00 O ATOM 515 CB PRO A 32 4.283 -13.102 -8.309 1.00 0.00 C ATOM 516 CG PRO A 32 5.351 -13.753 -9.134 1.00 0.00 C ATOM 517 CD PRO A 32 6.675 -13.276 -8.596 1.00 0.00 C ATOM 0 HA PRO A 32 4.585 -11.881 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.414 -13.753 -8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.937 -12.178 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.278 -14.839 -9.072 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.243 -13.486 -10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.423 -14.069 -8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.074 -12.451 -9.186 1.00 0.00 H new ATOM 525 N ALA A 33 5.499 -14.786 -5.663 1.00 0.00 N ATOM 526 CA ALA A 33 5.353 -15.801 -4.656 1.00 0.00 C ATOM 527 C ALA A 33 5.772 -15.255 -3.299 1.00 0.00 C ATOM 528 O ALA A 33 5.448 -15.827 -2.267 1.00 0.00 O ATOM 529 CB ALA A 33 6.155 -17.036 -5.011 1.00 0.00 C ATOM 0 H ALA A 33 6.394 -14.811 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 33 4.303 -16.090 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.027 -17.789 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.806 -17.435 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.210 -16.774 -5.093 1.00 0.00 H new ATOM 535 N ALA A 34 6.444 -14.102 -3.302 1.00 0.00 N ATOM 536 CA ALA A 34 6.885 -13.452 -2.062 1.00 0.00 C ATOM 537 C ALA A 34 5.692 -12.874 -1.346 1.00 0.00 C ATOM 538 O ALA A 34 5.727 -12.569 -0.149 1.00 0.00 O ATOM 539 CB ALA A 34 7.899 -12.365 -2.350 1.00 0.00 C ATOM 0 H ALA A 34 6.696 -13.596 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 34 7.364 -14.198 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.209 -11.900 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.768 -12.800 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.451 -11.612 -2.999 1.00 0.00 H new ATOM 545 N LEU A 35 4.629 -12.790 -2.090 1.00 0.00 N ATOM 546 CA LEU A 35 3.372 -12.287 -1.641 1.00 0.00 C ATOM 547 C LEU A 35 2.586 -13.410 -0.975 1.00 0.00 C ATOM 548 O LEU A 35 1.419 -13.273 -0.702 1.00 0.00 O ATOM 549 CB LEU A 35 2.588 -11.804 -2.847 1.00 0.00 C ATOM 550 CG LEU A 35 3.337 -10.880 -3.805 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.609 -10.782 -5.127 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.507 -9.509 -3.200 1.00 0.00 C ATOM 0 H LEU A 35 4.618 -13.083 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 35 3.531 -11.474 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.246 -12.675 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.698 -11.284 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 35 4.325 -11.304 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.158 -10.119 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.536 -11.772 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.608 -10.383 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.043 -8.867 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.527 -9.080 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.074 -9.588 -2.272 1.00 0.00 H new ATOM 564 N LYS A 36 3.198 -14.558 -0.783 1.00 0.00 N ATOM 565 CA LYS A 36 2.467 -15.651 -0.162 1.00 0.00 C ATOM 566 C LYS A 36 3.299 -16.272 0.921 1.00 0.00 C ATOM 567 O LYS A 36 2.869 -17.228 1.572 1.00 0.00 O ATOM 568 CB LYS A 36 2.135 -16.739 -1.186 1.00 0.00 C ATOM 569 CG LYS A 36 2.005 -16.220 -2.584 1.00 0.00 C ATOM 570 CD LYS A 36 1.698 -17.304 -3.590 1.00 0.00 C ATOM 571 CE LYS A 36 1.531 -16.707 -4.981 1.00 0.00 C ATOM 572 NZ LYS A 36 1.251 -17.728 -6.001 1.00 0.00 N ATOM 0 H LYS A 36 4.165 -14.760 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 36 1.544 -15.241 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.914 -17.501 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.203 -17.226 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.215 -15.469 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.931 -15.720 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.502 -18.040 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.788 -17.829 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.719 -15.980 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.438 -16.166 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.146 -17.271 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.037 -18.408 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.372 -18.228 -5.759 1.00 0.00 H new ATOM 586 N ASP A 37 4.488 -15.742 1.122 1.00 0.00 N ATOM 587 CA ASP A 37 5.395 -16.333 2.084 1.00 0.00 C ATOM 588 C ASP A 37 4.916 -16.046 3.503 1.00 0.00 C ATOM 589 O ASP A 37 3.955 -15.306 3.705 1.00 0.00 O ATOM 590 CB ASP A 37 6.832 -15.779 1.983 1.00 0.00 C ATOM 591 CG ASP A 37 7.593 -16.107 0.732 1.00 0.00 C ATOM 592 OD1 ASP A 37 7.866 -17.283 0.476 1.00 0.00 O ATOM 593 OD2 ASP A 37 7.985 -15.178 0.011 1.00 0.00 O ATOM 0 H ASP A 37 4.845 -14.916 0.641 1.00 0.00 H new ATOM 0 HA ASP A 37 5.405 -17.400 1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.786 -14.694 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.401 -16.151 2.835 1.00 0.00 H new ATOM 598 N ARG A 38 5.614 -16.581 4.500 1.00 0.00 N ATOM 599 CA ARG A 38 5.359 -16.200 5.910 1.00 0.00 C ATOM 600 C ARG A 38 5.731 -14.727 6.078 1.00 0.00 C ATOM 601 O ARG A 38 5.249 -14.043 6.943 1.00 0.00 O ATOM 602 CB ARG A 38 6.147 -17.077 6.928 1.00 0.00 C ATOM 603 CG ARG A 38 7.664 -16.818 7.027 1.00 0.00 C ATOM 604 CD ARG A 38 8.424 -17.202 5.771 1.00 0.00 C ATOM 605 NE ARG A 38 8.347 -18.635 5.475 1.00 0.00 N ATOM 606 CZ ARG A 38 8.933 -19.242 4.431 1.00 0.00 C ATOM 607 NH1 ARG A 38 9.649 -18.539 3.552 1.00 0.00 N ATOM 608 NH2 ARG A 38 8.803 -20.549 4.277 1.00 0.00 N ATOM 0 H ARG A 38 6.354 -17.272 4.374 1.00 0.00 H new ATOM 0 HA ARG A 38 4.303 -16.365 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.710 -16.930 7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.996 -18.124 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.832 -15.761 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.066 -17.377 7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.027 -16.640 4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.469 -16.915 5.883 1.00 0.00 H new ATOM 0 HE ARG A 38 7.805 -19.218 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.755 -17.531 3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.091 -19.009 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.260 -21.090 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.246 -21.016 3.486 1.00 0.00 H new ATOM 622 N ARG A 39 6.566 -14.263 5.179 1.00 0.00 N ATOM 623 CA ARG A 39 6.963 -12.889 5.106 1.00 0.00 C ATOM 624 C ARG A 39 5.765 -12.013 4.758 1.00 0.00 C ATOM 625 O ARG A 39 5.691 -10.859 5.194 1.00 0.00 O ATOM 626 CB ARG A 39 8.046 -12.755 4.061 1.00 0.00 C ATOM 627 CG ARG A 39 8.438 -11.336 3.704 1.00 0.00 C ATOM 628 CD ARG A 39 9.611 -11.330 2.759 1.00 0.00 C ATOM 629 NE ARG A 39 9.418 -12.271 1.633 1.00 0.00 N ATOM 630 CZ ARG A 39 10.339 -12.570 0.713 1.00 0.00 C ATOM 631 NH1 ARG A 39 11.471 -11.858 0.633 1.00 0.00 N ATOM 632 NH2 ARG A 39 10.120 -13.569 -0.131 1.00 0.00 N ATOM 0 H ARG A 39 6.995 -14.850 4.463 1.00 0.00 H new ATOM 0 HA ARG A 39 7.348 -12.560 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.934 -13.280 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.715 -13.261 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.592 -10.824 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.691 -10.784 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.758 -10.323 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.517 -11.596 3.303 1.00 0.00 H new ATOM 0 HE ARG A 39 8.509 -12.727 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.633 -11.083 1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.171 -12.091 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.253 -14.103 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.819 -13.803 -0.836 1.00 0.00 H new ATOM 646 N MET A 40 4.798 -12.580 4.012 1.00 0.00 N ATOM 647 CA MET A 40 3.629 -11.856 3.612 1.00 0.00 C ATOM 648 C MET A 40 2.888 -11.366 4.815 1.00 0.00 C ATOM 649 O MET A 40 2.488 -10.245 4.824 1.00 0.00 O ATOM 650 CB MET A 40 2.684 -12.689 2.716 1.00 0.00 C ATOM 651 CG MET A 40 1.308 -12.032 2.478 1.00 0.00 C ATOM 652 SD MET A 40 1.186 -10.972 0.989 1.00 0.00 S ATOM 653 CE MET A 40 2.683 -10.015 1.022 1.00 0.00 C ATOM 0 H MET A 40 4.826 -13.545 3.684 1.00 0.00 H new ATOM 0 HA MET A 40 3.972 -11.010 3.017 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.167 -12.857 1.753 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.534 -13.667 3.173 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.557 -12.819 2.405 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.056 -11.431 3.352 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.773 -9.449 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.656 -9.326 1.867 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.539 -10.682 1.125 1.00 0.00 H new ATOM 663 N GLU A 41 2.806 -12.184 5.874 1.00 0.00 N ATOM 664 CA GLU A 41 2.026 -11.810 7.059 1.00 0.00 C ATOM 665 C GLU A 41 2.606 -10.549 7.724 1.00 0.00 C ATOM 666 O GLU A 41 1.892 -9.785 8.323 1.00 0.00 O ATOM 667 CB GLU A 41 1.920 -12.967 8.064 1.00 0.00 C ATOM 668 CG GLU A 41 3.159 -13.203 8.884 1.00 0.00 C ATOM 669 CD GLU A 41 3.079 -14.429 9.754 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.310 -14.434 10.735 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.807 -15.407 9.500 1.00 0.00 O ATOM 0 H GLU A 41 3.263 -13.094 5.934 1.00 0.00 H new ATOM 0 HA GLU A 41 1.014 -11.583 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.087 -12.769 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.681 -13.881 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.015 -13.297 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.340 -12.332 9.513 1.00 0.00 H new ATOM 678 N ASN A 42 3.906 -10.342 7.572 1.00 0.00 N ATOM 679 CA ASN A 42 4.593 -9.152 8.093 1.00 0.00 C ATOM 680 C ASN A 42 4.294 -7.946 7.206 1.00 0.00 C ATOM 681 O ASN A 42 3.928 -6.837 7.693 1.00 0.00 O ATOM 682 CB ASN A 42 6.115 -9.426 8.145 1.00 0.00 C ATOM 683 CG ASN A 42 6.983 -8.184 8.350 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.465 -7.622 7.266 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 7.241 -7.763 9.466 1.00 0.00 N flip ATOM 0 H ASN A 42 4.522 -10.992 7.084 1.00 0.00 H new ATOM 0 HA ASN A 42 4.236 -8.932 9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.316 -10.130 8.953 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.414 -9.912 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.850 -8.223 10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.848 -6.951 9.577 1.00 0.00 H new ATOM 692 N LEU A 43 4.406 -8.177 5.906 1.00 0.00 N ATOM 693 CA LEU A 43 4.200 -7.146 4.901 1.00 0.00 C ATOM 694 C LEU A 43 2.748 -6.670 4.959 1.00 0.00 C ATOM 695 O LEU A 43 2.470 -5.468 5.053 1.00 0.00 O ATOM 696 CB LEU A 43 4.505 -7.700 3.497 1.00 0.00 C ATOM 697 CG LEU A 43 5.798 -8.532 3.305 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.000 -8.892 1.846 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.023 -7.831 3.840 1.00 0.00 C ATOM 0 H LEU A 43 4.644 -9.090 5.517 1.00 0.00 H new ATOM 0 HA LEU A 43 4.872 -6.312 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.662 -8.320 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.546 -6.857 2.808 1.00 0.00 H new ATOM 0 HG LEU A 43 5.666 -9.446 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.914 -9.476 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.151 -9.479 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.080 -7.980 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.900 -8.458 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.155 -6.882 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.899 -7.646 4.907 1.00 0.00 H new ATOM 711 N VAL A 44 1.832 -7.628 4.952 1.00 0.00 N ATOM 712 CA VAL A 44 0.424 -7.349 5.016 1.00 0.00 C ATOM 713 C VAL A 44 0.037 -6.798 6.353 1.00 0.00 C ATOM 714 O VAL A 44 -0.823 -5.984 6.408 1.00 0.00 O ATOM 715 CB VAL A 44 -0.497 -8.541 4.607 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.277 -8.929 3.180 1.00 0.00 C ATOM 717 CG2 VAL A 44 -0.372 -9.730 5.529 1.00 0.00 C ATOM 0 H VAL A 44 2.056 -8.622 4.901 1.00 0.00 H new ATOM 0 HA VAL A 44 0.254 -6.586 4.257 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.523 -8.187 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.932 -9.762 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.500 -8.080 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.762 -9.229 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.037 -10.524 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.657 -10.090 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.645 -9.435 6.542 1.00 0.00 H new ATOM 727 N ALA A 45 0.701 -7.225 7.431 1.00 0.00 N ATOM 728 CA ALA A 45 0.435 -6.662 8.759 1.00 0.00 C ATOM 729 C ALA A 45 0.601 -5.135 8.725 1.00 0.00 C ATOM 730 O ALA A 45 -0.274 -4.397 9.205 1.00 0.00 O ATOM 731 CB ALA A 45 1.348 -7.279 9.820 1.00 0.00 C ATOM 0 H ALA A 45 1.418 -7.950 7.412 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.593 -6.902 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.125 -6.840 10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.182 -8.355 9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.389 -7.082 9.563 1.00 0.00 H new ATOM 737 N TYR A 46 1.703 -4.656 8.124 1.00 0.00 N ATOM 738 CA TYR A 46 1.880 -3.191 7.934 1.00 0.00 C ATOM 739 C TYR A 46 0.795 -2.633 7.025 1.00 0.00 C ATOM 740 O TYR A 46 0.186 -1.619 7.336 1.00 0.00 O ATOM 741 CB TYR A 46 3.277 -2.839 7.345 1.00 0.00 C ATOM 742 CG TYR A 46 3.358 -1.438 6.679 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.010 -1.265 5.334 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.739 -0.311 7.384 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.045 -0.026 4.729 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.773 0.940 6.769 1.00 0.00 C ATOM 747 CZ TYR A 46 3.427 1.070 5.450 1.00 0.00 C ATOM 748 OH TYR A 46 3.465 2.315 4.849 1.00 0.00 O ATOM 0 H TYR A 46 2.466 -5.232 7.769 1.00 0.00 H new ATOM 0 HA TYR A 46 1.804 -2.735 8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.018 -2.892 8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.548 -3.595 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.706 -2.124 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.014 -0.401 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.772 0.077 3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.073 1.810 7.335 1.00 0.00 H new ATOM 0 HH TYR A 46 3.756 2.985 5.502 1.00 0.00 H new ATOM 758 N ALA A 47 0.577 -3.273 5.908 1.00 0.00 N ATOM 759 CA ALA A 47 -0.376 -2.778 4.937 1.00 0.00 C ATOM 760 C ALA A 47 -1.767 -2.645 5.543 1.00 0.00 C ATOM 761 O ALA A 47 -2.402 -1.637 5.391 1.00 0.00 O ATOM 762 CB ALA A 47 -0.380 -3.652 3.716 1.00 0.00 C ATOM 0 H ALA A 47 1.044 -4.140 5.643 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.068 -1.778 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.101 -3.267 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.614 -3.656 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.655 -4.669 3.997 1.00 0.00 H new ATOM 768 N LYS A 48 -2.164 -3.640 6.298 1.00 0.00 N ATOM 769 CA LYS A 48 -3.457 -3.691 6.971 1.00 0.00 C ATOM 770 C LYS A 48 -3.576 -2.631 8.039 1.00 0.00 C ATOM 771 O LYS A 48 -4.625 -2.017 8.189 1.00 0.00 O ATOM 772 CB LYS A 48 -3.641 -5.045 7.616 1.00 0.00 C ATOM 773 CG LYS A 48 -3.794 -6.180 6.625 1.00 0.00 C ATOM 774 CD LYS A 48 -3.723 -7.519 7.320 1.00 0.00 C ATOM 775 CE LYS A 48 -3.971 -8.650 6.349 1.00 0.00 C ATOM 776 NZ LYS A 48 -4.080 -9.964 7.022 1.00 0.00 N ATOM 0 H LYS A 48 -1.587 -4.463 6.472 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.225 -3.513 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.785 -5.250 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.522 -5.014 8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.747 -6.087 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.011 -6.116 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.743 -7.641 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.461 -7.556 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.888 -8.453 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.160 -8.684 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.250 -10.705 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.196 -10.168 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.871 -9.944 7.697 1.00 0.00 H new ATOM 790 N LYS A 49 -2.508 -2.417 8.790 1.00 0.00 N ATOM 791 CA LYS A 49 -2.542 -1.444 9.867 1.00 0.00 C ATOM 792 C LYS A 49 -2.697 -0.024 9.288 1.00 0.00 C ATOM 793 O LYS A 49 -3.508 0.795 9.774 1.00 0.00 O ATOM 794 CB LYS A 49 -1.297 -1.589 10.804 1.00 0.00 C ATOM 795 CG LYS A 49 0.031 -1.267 10.223 1.00 0.00 C ATOM 796 CD LYS A 49 1.138 -1.514 11.240 1.00 0.00 C ATOM 797 CE LYS A 49 2.441 -0.842 10.844 1.00 0.00 C ATOM 798 NZ LYS A 49 3.483 -1.019 11.878 1.00 0.00 N ATOM 0 H LYS A 49 -1.616 -2.899 8.675 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.412 -1.636 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.451 -0.947 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.266 -2.616 11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.203 -1.877 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.050 -0.225 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.822 -1.144 12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.301 -2.587 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.792 -1.257 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.267 0.222 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.358 -0.547 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.158 -0.601 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.667 -2.033 12.016 1.00 0.00 H new ATOM 812 N VAL A 50 -1.991 0.214 8.207 1.00 0.00 N ATOM 813 CA VAL A 50 -2.019 1.481 7.513 1.00 0.00 C ATOM 814 C VAL A 50 -3.353 1.668 6.787 1.00 0.00 C ATOM 815 O VAL A 50 -4.023 2.686 6.966 1.00 0.00 O ATOM 816 CB VAL A 50 -0.816 1.575 6.536 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.888 2.798 5.647 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.464 1.605 7.330 1.00 0.00 C ATOM 0 H VAL A 50 -1.373 -0.476 7.779 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.929 2.289 8.239 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.847 0.700 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.024 2.817 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.801 2.763 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.891 3.697 6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.313 1.671 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.461 2.471 7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.545 0.695 7.924 1.00 0.00 H new ATOM 828 N GLU A 51 -3.751 0.651 6.039 1.00 0.00 N ATOM 829 CA GLU A 51 -4.999 0.639 5.280 1.00 0.00 C ATOM 830 C GLU A 51 -6.156 0.856 6.225 1.00 0.00 C ATOM 831 O GLU A 51 -7.002 1.718 5.998 1.00 0.00 O ATOM 832 CB GLU A 51 -5.113 -0.703 4.528 1.00 0.00 C ATOM 833 CG GLU A 51 -6.331 -0.902 3.623 1.00 0.00 C ATOM 834 CD GLU A 51 -7.606 -1.302 4.374 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.514 -1.997 5.403 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.710 -0.959 3.942 1.00 0.00 O ATOM 0 H GLU A 51 -3.208 -0.207 5.938 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.015 1.442 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.217 -0.825 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.108 -1.505 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.519 0.021 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.101 -1.670 2.884 1.00 0.00 H new ATOM 843 N GLY A 52 -6.138 0.112 7.314 1.00 0.00 N ATOM 844 CA GLY A 52 -7.147 0.209 8.320 1.00 0.00 C ATOM 845 C GLY A 52 -7.248 1.588 8.898 1.00 0.00 C ATOM 846 O GLY A 52 -8.357 2.076 9.156 1.00 0.00 O ATOM 0 H GLY A 52 -5.413 -0.577 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.109 -0.075 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.930 -0.501 9.118 1.00 0.00 H new ATOM 850 N ASP A 53 -6.109 2.229 9.084 1.00 0.00 N ATOM 851 CA ASP A 53 -6.081 3.582 9.607 1.00 0.00 C ATOM 852 C ASP A 53 -6.754 4.565 8.654 1.00 0.00 C ATOM 853 O ASP A 53 -7.657 5.302 9.055 1.00 0.00 O ATOM 854 CB ASP A 53 -4.673 4.019 9.902 1.00 0.00 C ATOM 855 CG ASP A 53 -4.634 5.356 10.603 1.00 0.00 C ATOM 856 OD1 ASP A 53 -5.303 5.523 11.653 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.947 6.270 10.116 1.00 0.00 O ATOM 0 H ASP A 53 -5.191 1.834 8.881 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.644 3.579 10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.183 3.269 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.109 4.080 8.971 1.00 0.00 H new ATOM 862 N MET A 54 -6.346 4.550 7.390 1.00 0.00 N ATOM 863 CA MET A 54 -6.959 5.431 6.366 1.00 0.00 C ATOM 864 C MET A 54 -8.417 5.113 6.121 1.00 0.00 C ATOM 865 O MET A 54 -9.220 6.013 5.870 1.00 0.00 O ATOM 866 CB MET A 54 -6.155 5.501 5.049 1.00 0.00 C ATOM 867 CG MET A 54 -5.530 4.222 4.594 1.00 0.00 C ATOM 868 SD MET A 54 -3.823 4.502 4.065 1.00 0.00 S ATOM 869 CE MET A 54 -3.151 5.348 5.514 1.00 0.00 C ATOM 0 H MET A 54 -5.601 3.948 7.038 1.00 0.00 H new ATOM 0 HA MET A 54 -6.919 6.433 6.794 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.817 5.859 4.261 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.368 6.245 5.166 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.551 3.492 5.404 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.107 3.801 3.771 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.062 5.336 5.470 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.502 6.380 5.528 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.483 4.839 6.419 1.00 0.00 H new ATOM 879 N TYR A 55 -8.760 3.856 6.254 1.00 0.00 N ATOM 880 CA TYR A 55 -10.117 3.384 6.113 1.00 0.00 C ATOM 881 C TYR A 55 -10.969 3.996 7.241 1.00 0.00 C ATOM 882 O TYR A 55 -12.058 4.453 7.023 1.00 0.00 O ATOM 883 CB TYR A 55 -10.072 1.856 6.204 1.00 0.00 C ATOM 884 CG TYR A 55 -11.347 1.106 5.963 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.776 0.824 4.676 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.084 0.623 7.023 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.911 0.077 4.454 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.232 -0.117 6.816 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.640 -0.390 5.526 1.00 0.00 C ATOM 890 OH TYR A 55 -14.759 -1.159 5.308 1.00 0.00 O ATOM 0 H TYR A 55 -8.091 3.116 6.468 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.562 3.677 5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.332 1.499 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.709 1.590 7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.211 1.196 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.758 0.827 8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.228 -0.142 3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.805 -0.479 7.657 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.018 -1.603 6.142 1.00 0.00 H new ATOM 900 N GLU A 56 -10.427 4.043 8.443 1.00 0.00 N ATOM 901 CA GLU A 56 -11.139 4.662 9.554 1.00 0.00 C ATOM 902 C GLU A 56 -11.010 6.192 9.542 1.00 0.00 C ATOM 903 O GLU A 56 -11.784 6.888 10.198 1.00 0.00 O ATOM 904 CB GLU A 56 -10.696 4.084 10.905 1.00 0.00 C ATOM 905 CG GLU A 56 -11.142 2.645 11.127 1.00 0.00 C ATOM 906 CD GLU A 56 -10.675 2.071 12.446 1.00 0.00 C ATOM 907 OE1 GLU A 56 -11.219 2.448 13.507 1.00 0.00 O ATOM 908 OE2 GLU A 56 -9.757 1.225 12.450 1.00 0.00 O ATOM 0 H GLU A 56 -9.509 3.667 8.678 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.194 4.423 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.609 4.134 10.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.095 4.707 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.230 2.598 11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.763 2.025 10.314 1.00 0.00 H new ATOM 915 N SER A 57 -10.057 6.705 8.806 1.00 0.00 N ATOM 916 CA SER A 57 -9.813 8.136 8.729 1.00 0.00 C ATOM 917 C SER A 57 -10.753 8.813 7.716 1.00 0.00 C ATOM 918 O SER A 57 -11.466 9.760 8.063 1.00 0.00 O ATOM 919 CB SER A 57 -8.337 8.385 8.356 1.00 0.00 C ATOM 920 OG SER A 57 -8.004 9.767 8.296 1.00 0.00 O ATOM 0 H SER A 57 -9.421 6.145 8.238 1.00 0.00 H new ATOM 0 HA SER A 57 -10.018 8.577 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.695 7.894 9.088 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.130 7.925 7.390 1.00 0.00 H new ATOM 0 HG SER A 57 -7.059 9.866 8.058 1.00 0.00 H new ATOM 926 N ALA A 58 -10.777 8.295 6.498 1.00 0.00 N ATOM 927 CA ALA A 58 -11.534 8.880 5.394 1.00 0.00 C ATOM 928 C ALA A 58 -13.030 8.889 5.637 1.00 0.00 C ATOM 929 O ALA A 58 -13.550 8.141 6.485 1.00 0.00 O ATOM 930 CB ALA A 58 -11.259 8.120 4.149 1.00 0.00 C ATOM 0 H ALA A 58 -10.268 7.449 6.242 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.210 9.917 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.823 8.556 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.194 8.165 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.558 7.080 4.284 1.00 0.00 H new ATOM 936 N ASN A 59 -13.727 9.712 4.890 1.00 0.00 N ATOM 937 CA ASN A 59 -15.171 9.825 5.046 1.00 0.00 C ATOM 938 C ASN A 59 -15.910 9.118 3.909 1.00 0.00 C ATOM 939 O ASN A 59 -17.137 9.172 3.818 1.00 0.00 O ATOM 940 CB ASN A 59 -15.605 11.294 5.186 1.00 0.00 C ATOM 941 CG ASN A 59 -15.794 12.030 3.868 1.00 0.00 C ATOM 942 OD1 ASN A 59 -16.890 12.083 3.330 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.747 12.572 3.333 1.00 0.00 N ATOM 0 H ASN A 59 -13.327 10.313 4.170 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.446 9.319 5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.541 11.331 5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.859 11.824 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.825 13.059 2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.845 12.512 3.805 1.00 0.00 H new ATOM 950 N SER A 60 -15.164 8.441 3.085 1.00 0.00 N ATOM 951 CA SER A 60 -15.692 7.619 2.030 1.00 0.00 C ATOM 952 C SER A 60 -14.618 6.686 1.584 1.00 0.00 C ATOM 953 O SER A 60 -13.425 6.967 1.793 1.00 0.00 O ATOM 954 CB SER A 60 -16.236 8.454 0.869 1.00 0.00 C ATOM 955 OG SER A 60 -15.270 9.376 0.370 1.00 0.00 O ATOM 0 H SER A 60 -14.145 8.444 3.128 1.00 0.00 H new ATOM 0 HA SER A 60 -16.541 7.049 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.553 7.791 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.120 9.000 1.199 1.00 0.00 H new ATOM 0 HG SER A 60 -15.341 9.428 -0.606 1.00 0.00 H new ATOM 961 N ARG A 61 -15.002 5.567 1.000 1.00 0.00 N ATOM 962 CA ARG A 61 -14.012 4.594 0.561 1.00 0.00 C ATOM 963 C ARG A 61 -13.207 5.143 -0.577 1.00 0.00 C ATOM 964 O ARG A 61 -12.056 4.837 -0.728 1.00 0.00 O ATOM 965 CB ARG A 61 -14.603 3.231 0.180 1.00 0.00 C ATOM 966 CG ARG A 61 -15.395 3.146 -1.116 1.00 0.00 C ATOM 967 CD ARG A 61 -16.561 4.047 -1.134 1.00 0.00 C ATOM 968 NE ARG A 61 -17.517 3.632 -2.161 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.267 4.429 -2.929 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.058 5.746 -2.975 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.203 3.888 -3.696 1.00 0.00 N ATOM 0 H ARG A 61 -15.972 5.309 0.820 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.368 4.416 1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.784 2.514 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.253 2.907 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.741 3.390 -1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.732 2.120 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.045 4.044 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.235 5.069 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.622 2.628 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.314 6.164 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.643 6.335 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.343 2.878 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.784 4.482 -4.288 1.00 0.00 H new ATOM 985 N ASP A 62 -13.835 5.972 -1.357 1.00 0.00 N ATOM 986 CA ASP A 62 -13.188 6.623 -2.446 1.00 0.00 C ATOM 987 C ASP A 62 -12.128 7.550 -1.913 1.00 0.00 C ATOM 988 O ASP A 62 -11.006 7.464 -2.334 1.00 0.00 O ATOM 989 CB ASP A 62 -14.207 7.320 -3.347 1.00 0.00 C ATOM 990 CG ASP A 62 -15.227 8.101 -2.567 1.00 0.00 C ATOM 991 OD1 ASP A 62 -16.209 7.485 -2.102 1.00 0.00 O ATOM 992 OD2 ASP A 62 -15.055 9.309 -2.344 1.00 0.00 O ATOM 0 H ASP A 62 -14.820 6.214 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.690 5.888 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.685 7.991 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.715 6.575 -3.959 1.00 0.00 H new ATOM 997 N GLU A 63 -12.465 8.358 -0.904 1.00 0.00 N ATOM 998 CA GLU A 63 -11.483 9.221 -0.257 1.00 0.00 C ATOM 999 C GLU A 63 -10.323 8.411 0.321 1.00 0.00 C ATOM 1000 O GLU A 63 -9.154 8.750 0.101 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.131 10.113 0.816 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.132 10.832 1.717 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.736 11.917 2.532 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.195 11.639 3.663 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.746 13.086 2.078 1.00 0.00 O ATOM 0 H GLU A 63 -13.408 8.430 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.076 9.879 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.760 10.855 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.786 9.500 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.668 10.105 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.337 11.252 1.101 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.648 7.312 1.002 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.645 6.477 1.619 1.00 0.00 C ATOM 1014 C TYR A 64 -8.744 5.849 0.557 1.00 0.00 C ATOM 1015 O TYR A 64 -7.518 5.873 0.682 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.327 5.444 2.574 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.032 4.010 2.330 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -8.949 3.402 2.913 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.840 3.267 1.503 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.675 2.095 2.676 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.572 1.959 1.249 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.484 1.377 1.841 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.194 0.090 1.592 1.00 0.00 O ATOM 0 H TYR A 64 -11.606 6.987 1.135 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.985 7.079 2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.034 5.682 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.406 5.584 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.307 3.971 3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.703 3.730 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.823 1.625 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.208 1.387 0.590 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.876 -0.339 2.414 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.367 5.357 -0.507 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.677 4.766 -1.625 1.00 0.00 C ATOM 1035 C TYR A 65 -7.787 5.793 -2.296 1.00 0.00 C ATOM 1036 O TYR A 65 -6.631 5.522 -2.520 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.707 4.104 -2.594 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.260 3.794 -4.015 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -8.006 3.268 -4.317 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.129 4.039 -5.062 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.644 3.005 -5.623 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.777 3.781 -6.358 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.538 3.267 -6.639 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.192 3.028 -7.942 1.00 0.00 O ATOM 0 H TYR A 65 -10.382 5.362 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.016 3.970 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.041 3.171 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.577 4.759 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.308 3.063 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.108 4.443 -4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.669 2.598 -5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.474 3.982 -7.158 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.940 3.267 -8.528 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.312 6.992 -2.524 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.555 8.055 -3.190 1.00 0.00 C ATOM 1056 C HIS A 66 -6.315 8.434 -2.405 1.00 0.00 C ATOM 1057 O HIS A 66 -5.222 8.395 -2.934 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.388 9.329 -3.425 1.00 0.00 C ATOM 1059 CG HIS A 66 -9.581 9.185 -4.327 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -10.752 9.887 -4.146 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -9.770 8.426 -5.437 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -11.595 9.546 -5.110 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -11.056 8.659 -5.929 1.00 0.00 N ATOM 0 H HIS A 66 -9.261 7.256 -2.258 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.272 7.640 -4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.732 9.697 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.733 10.094 -3.842 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.045 7.752 -5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.594 9.942 -5.213 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.489 8.234 -6.749 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.487 8.768 -1.134 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.377 9.237 -0.305 1.00 0.00 C ATOM 1073 C LEU A 67 -4.304 8.153 -0.104 1.00 0.00 C ATOM 1074 O LEU A 67 -3.083 8.447 -0.112 1.00 0.00 O ATOM 1075 CB LEU A 67 -5.886 9.860 1.040 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.605 8.944 2.062 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.630 8.147 2.894 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.528 9.735 2.968 1.00 0.00 C ATOM 0 H LEU A 67 -7.384 8.724 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.881 10.043 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.028 10.306 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.567 10.674 0.790 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.204 8.245 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.179 7.519 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.024 7.518 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.981 8.827 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.015 9.059 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.949 10.477 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.285 10.239 2.366 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.736 6.901 0.024 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.798 5.823 0.220 1.00 0.00 C ATOM 1092 C LEU A 68 -3.103 5.540 -1.113 1.00 0.00 C ATOM 1093 O LEU A 68 -1.918 5.211 -1.158 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.505 4.576 0.832 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.138 3.535 -0.089 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.096 2.547 -0.555 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.238 2.811 0.635 1.00 0.00 C ATOM 0 H LEU A 68 -5.716 6.620 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.033 6.103 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.773 4.059 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.287 4.940 1.498 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.555 4.044 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.560 1.810 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.312 3.074 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.662 2.042 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.684 2.070 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.828 2.312 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.000 3.525 0.946 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.852 5.715 -2.196 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.339 5.589 -3.537 1.00 0.00 C ATOM 1111 C ALA A 69 -2.283 6.643 -3.798 1.00 0.00 C ATOM 1112 O ALA A 69 -1.336 6.400 -4.502 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.454 5.704 -4.551 1.00 0.00 C ATOM 0 H ALA A 69 -4.844 5.951 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.884 4.603 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.043 5.606 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.185 4.914 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.939 6.675 -4.450 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.431 7.804 -3.196 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.442 8.842 -3.374 1.00 0.00 C ATOM 1121 C GLU A 70 -0.174 8.492 -2.626 1.00 0.00 C ATOM 1122 O GLU A 70 0.931 8.688 -3.141 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.930 10.200 -2.917 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.268 10.606 -3.458 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.500 12.084 -3.326 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -3.544 12.596 -2.197 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.671 12.769 -4.357 1.00 0.00 O ATOM 0 H GLU A 70 -3.213 8.049 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.245 8.903 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.978 10.205 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.194 10.950 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.337 10.320 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.053 10.066 -2.928 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.315 7.959 -1.402 1.00 0.00 N ATOM 1135 CA LYS A 71 0.869 7.597 -0.627 1.00 0.00 C ATOM 1136 C LYS A 71 1.622 6.452 -1.307 1.00 0.00 C ATOM 1137 O LYS A 71 2.837 6.469 -1.380 1.00 0.00 O ATOM 1138 CB LYS A 71 0.565 7.329 0.900 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.249 6.072 1.245 1.00 0.00 C ATOM 1140 CD LYS A 71 0.614 4.798 1.341 1.00 0.00 C ATOM 1141 CE LYS A 71 1.159 4.530 2.758 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.002 5.617 3.312 1.00 0.00 N ATOM 0 H LYS A 71 -1.208 7.776 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 71 1.530 8.464 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.517 7.271 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.033 8.195 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.762 6.228 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.019 5.926 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.021 3.942 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.451 4.883 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.318 4.362 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.742 3.609 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.367 5.333 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.799 5.800 2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.432 6.481 3.412 1.00 0.00 H new ATOM 1156 N ILE A 72 0.893 5.494 -1.862 1.00 0.00 N ATOM 1157 CA ILE A 72 1.528 4.382 -2.543 1.00 0.00 C ATOM 1158 C ILE A 72 2.214 4.867 -3.832 1.00 0.00 C ATOM 1159 O ILE A 72 3.345 4.511 -4.108 1.00 0.00 O ATOM 1160 CB ILE A 72 0.534 3.196 -2.825 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.239 2.037 -3.464 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.603 3.592 -3.663 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.337 0.889 -3.811 1.00 0.00 C ATOM 0 H ILE A 72 -0.127 5.466 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 72 2.290 3.982 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 72 0.145 2.897 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.736 2.382 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.018 1.682 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.254 2.732 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.163 4.384 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.238 3.955 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.923 0.092 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.140 0.515 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.427 1.226 -4.511 1.00 0.00 H new ATOM 1175 N TYR A 73 1.533 5.719 -4.561 1.00 0.00 N ATOM 1176 CA TYR A 73 2.018 6.317 -5.795 1.00 0.00 C ATOM 1177 C TYR A 73 3.322 7.085 -5.567 1.00 0.00 C ATOM 1178 O TYR A 73 4.341 6.830 -6.261 1.00 0.00 O ATOM 1179 CB TYR A 73 0.898 7.214 -6.332 1.00 0.00 C ATOM 1180 CG TYR A 73 1.201 8.099 -7.499 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.735 9.351 -7.296 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.904 7.710 -8.791 1.00 0.00 C ATOM 1183 CE1 TYR A 73 1.974 10.198 -8.343 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.146 8.547 -9.852 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.678 9.791 -9.623 1.00 0.00 C ATOM 1186 OH TYR A 73 1.934 10.632 -10.680 1.00 0.00 O ATOM 0 H TYR A 73 0.595 6.029 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 73 2.259 5.549 -6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.061 6.573 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.557 7.847 -5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.970 9.671 -6.291 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.476 6.735 -8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.392 11.178 -8.166 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.919 8.229 -10.859 1.00 0.00 H new ATOM 0 HH TYR A 73 1.669 10.196 -11.517 1.00 0.00 H new ATOM 1196 N LYS A 74 3.317 7.990 -4.589 1.00 0.00 N ATOM 1197 CA LYS A 74 4.495 8.790 -4.299 1.00 0.00 C ATOM 1198 C LYS A 74 5.633 7.896 -3.816 1.00 0.00 C ATOM 1199 O LYS A 74 6.786 8.142 -4.131 1.00 0.00 O ATOM 1200 CB LYS A 74 4.198 9.920 -3.289 1.00 0.00 C ATOM 1201 CG LYS A 74 3.912 9.453 -1.867 1.00 0.00 C ATOM 1202 CD LYS A 74 3.540 10.609 -0.935 1.00 0.00 C ATOM 1203 CE LYS A 74 2.216 11.272 -1.315 1.00 0.00 C ATOM 1204 NZ LYS A 74 1.880 12.391 -0.405 1.00 0.00 N ATOM 0 H LYS A 74 2.514 8.183 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 74 4.804 9.276 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.049 10.601 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.342 10.491 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.099 8.727 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.789 8.940 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.475 10.239 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.334 11.356 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.275 11.641 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.418 10.530 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.976 12.815 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.799 12.034 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.629 13.111 -0.448 1.00 0.00 H new ATOM 1218 N ILE A 75 5.283 6.827 -3.107 1.00 0.00 N ATOM 1219 CA ILE A 75 6.244 5.867 -2.624 1.00 0.00 C ATOM 1220 C ILE A 75 6.856 5.069 -3.778 1.00 0.00 C ATOM 1221 O ILE A 75 8.058 4.805 -3.776 1.00 0.00 O ATOM 1222 CB ILE A 75 5.620 4.925 -1.525 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.918 5.432 -0.102 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.064 3.479 -1.670 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.445 6.837 0.211 1.00 0.00 C ATOM 0 H ILE A 75 4.319 6.610 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 75 7.053 6.420 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 75 4.542 4.955 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.459 4.747 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.995 5.387 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.603 2.877 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.759 3.101 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.149 3.421 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.708 7.089 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.923 7.542 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.363 6.892 0.089 1.00 0.00 H new ATOM 1237 N GLN A 76 6.048 4.737 -4.786 1.00 0.00 N ATOM 1238 CA GLN A 76 6.561 3.956 -5.899 1.00 0.00 C ATOM 1239 C GLN A 76 7.571 4.746 -6.678 1.00 0.00 C ATOM 1240 O GLN A 76 8.610 4.237 -7.055 1.00 0.00 O ATOM 1241 CB GLN A 76 5.471 3.407 -6.814 1.00 0.00 C ATOM 1242 CG GLN A 76 4.483 2.499 -6.101 1.00 0.00 C ATOM 1243 CD GLN A 76 4.050 1.311 -6.930 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.785 0.827 -7.786 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.874 0.806 -6.654 1.00 0.00 N ATOM 0 H GLN A 76 5.062 4.991 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 76 7.049 3.085 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.929 4.240 -7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.937 2.855 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.933 2.141 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.603 3.079 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.290 1.235 -5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.541 -0.017 -7.157 1.00 0.00 H new ATOM 1254 N LYS A 77 7.297 6.005 -6.892 1.00 0.00 N ATOM 1255 CA LYS A 77 8.259 6.817 -7.557 1.00 0.00 C ATOM 1256 C LYS A 77 9.432 7.196 -6.660 1.00 0.00 C ATOM 1257 O LYS A 77 10.533 7.426 -7.146 1.00 0.00 O ATOM 1258 CB LYS A 77 7.610 7.971 -8.240 1.00 0.00 C ATOM 1259 CG LYS A 77 6.589 8.715 -7.399 1.00 0.00 C ATOM 1260 CD LYS A 77 5.851 9.725 -8.223 1.00 0.00 C ATOM 1261 CE LYS A 77 5.180 9.102 -9.451 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.721 10.095 -10.445 1.00 0.00 N ATOM 0 H LYS A 77 6.434 6.475 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 77 8.711 6.218 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.384 8.673 -8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.122 7.611 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.883 8.006 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.090 9.213 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.094 10.210 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.544 10.502 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.882 8.419 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.327 8.506 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.821 9.700 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.722 10.326 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.296 10.958 -10.365 1.00 0.00 H new ATOM 1276 N GLU A 78 9.186 7.243 -5.353 1.00 0.00 N ATOM 1277 CA GLU A 78 10.227 7.499 -4.364 1.00 0.00 C ATOM 1278 C GLU A 78 11.245 6.364 -4.445 1.00 0.00 C ATOM 1279 O GLU A 78 12.451 6.606 -4.562 1.00 0.00 O ATOM 1280 CB GLU A 78 9.586 7.575 -2.967 1.00 0.00 C ATOM 1281 CG GLU A 78 10.439 8.191 -1.838 1.00 0.00 C ATOM 1282 CD GLU A 78 11.605 7.350 -1.377 1.00 0.00 C ATOM 1283 OE1 GLU A 78 11.413 6.186 -0.979 1.00 0.00 O ATOM 1284 OE2 GLU A 78 12.729 7.838 -1.418 1.00 0.00 O ATOM 0 H GLU A 78 8.259 7.105 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 78 10.732 8.446 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.664 8.151 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.306 6.565 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.819 9.155 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.793 8.386 -0.982 1.00 0.00 H new ATOM 1291 N LEU A 79 10.750 5.124 -4.437 1.00 0.00 N ATOM 1292 CA LEU A 79 11.616 3.970 -4.538 1.00 0.00 C ATOM 1293 C LEU A 79 12.335 3.951 -5.871 1.00 0.00 C ATOM 1294 O LEU A 79 13.516 3.667 -5.917 1.00 0.00 O ATOM 1295 CB LEU A 79 10.884 2.638 -4.207 1.00 0.00 C ATOM 1296 CG LEU A 79 9.713 2.189 -5.103 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.190 1.431 -6.341 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.723 1.361 -4.318 1.00 0.00 C ATOM 0 H LEU A 79 9.757 4.904 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 79 12.382 4.061 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.629 1.842 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.508 2.713 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 79 9.213 3.093 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.329 1.135 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.841 2.074 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.740 0.542 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.905 1.056 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.222 0.476 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.327 1.953 -3.493 1.00 0.00 H new ATOM 1310 N GLU A 80 11.630 4.318 -6.931 1.00 0.00 N ATOM 1311 CA GLU A 80 12.215 4.426 -8.258 1.00 0.00 C ATOM 1312 C GLU A 80 13.410 5.356 -8.258 1.00 0.00 C ATOM 1313 O GLU A 80 14.509 4.965 -8.644 1.00 0.00 O ATOM 1314 CB GLU A 80 11.181 4.933 -9.248 1.00 0.00 C ATOM 1315 CG GLU A 80 10.342 3.858 -9.885 1.00 0.00 C ATOM 1316 CD GLU A 80 11.163 3.017 -10.817 1.00 0.00 C ATOM 1317 OE1 GLU A 80 11.365 3.425 -11.995 1.00 0.00 O ATOM 1318 OE2 GLU A 80 11.644 1.954 -10.418 1.00 0.00 O ATOM 0 H GLU A 80 10.637 4.549 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 80 12.549 3.432 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.522 5.635 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.692 5.490 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.904 3.228 -9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.516 4.313 -10.432 1.00 0.00 H new ATOM 1325 N GLU A 81 13.222 6.555 -7.769 1.00 0.00 N ATOM 1326 CA GLU A 81 14.286 7.510 -7.780 1.00 0.00 C ATOM 1327 C GLU A 81 15.417 7.135 -6.819 1.00 0.00 C ATOM 1328 O GLU A 81 16.560 7.124 -7.211 1.00 0.00 O ATOM 1329 CB GLU A 81 13.779 8.950 -7.575 1.00 0.00 C ATOM 1330 CG GLU A 81 13.036 9.200 -6.278 1.00 0.00 C ATOM 1331 CD GLU A 81 12.511 10.602 -6.176 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.305 11.535 -5.929 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.291 10.808 -6.335 1.00 0.00 O ATOM 0 H GLU A 81 12.347 6.886 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 81 14.721 7.481 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.632 9.627 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.122 9.207 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.206 8.498 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.702 9.003 -5.438 1.00 0.00 H new ATOM 1340 N LYS A 82 15.100 6.764 -5.592 1.00 0.00 N ATOM 1341 CA LYS A 82 16.156 6.478 -4.629 1.00 0.00 C ATOM 1342 C LYS A 82 16.872 5.157 -4.870 1.00 0.00 C ATOM 1343 O LYS A 82 18.090 5.068 -4.716 1.00 0.00 O ATOM 1344 CB LYS A 82 15.711 6.706 -3.176 1.00 0.00 C ATOM 1345 CG LYS A 82 14.658 5.781 -2.649 1.00 0.00 C ATOM 1346 CD LYS A 82 15.238 4.605 -1.931 1.00 0.00 C ATOM 1347 CE LYS A 82 14.132 3.765 -1.373 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.288 4.524 -0.403 1.00 0.00 N ATOM 0 H LYS A 82 14.148 6.655 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 82 16.930 7.224 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.588 6.626 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.343 7.728 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.003 6.329 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.040 5.430 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.849 4.014 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.893 4.943 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.508 3.400 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.555 2.890 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.999 3.894 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.834 5.321 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.442 4.886 -0.888 1.00 0.00 H new ATOM 1362 N ARG A 83 16.139 4.147 -5.257 1.00 0.00 N ATOM 1363 CA ARG A 83 16.726 2.857 -5.536 1.00 0.00 C ATOM 1364 C ARG A 83 17.406 2.789 -6.867 1.00 0.00 C ATOM 1365 O ARG A 83 18.322 1.987 -7.052 1.00 0.00 O ATOM 1366 CB ARG A 83 15.739 1.714 -5.326 1.00 0.00 C ATOM 1367 CG ARG A 83 15.792 1.177 -3.923 1.00 0.00 C ATOM 1368 CD ARG A 83 16.975 0.240 -3.772 1.00 0.00 C ATOM 1369 NE ARG A 83 16.623 -1.108 -4.222 1.00 0.00 N ATOM 1370 CZ ARG A 83 17.302 -1.885 -5.054 1.00 0.00 C ATOM 1371 NH1 ARG A 83 18.416 -1.440 -5.648 1.00 0.00 N ATOM 1372 NH2 ARG A 83 16.869 -3.124 -5.286 1.00 0.00 N ATOM 0 H ARG A 83 15.128 4.190 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 83 17.518 2.728 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.729 2.062 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.958 0.911 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.876 2.000 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.867 0.649 -3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.819 0.614 -4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.292 0.210 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 83 15.754 -1.494 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.750 -0.494 -5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.931 -2.047 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.025 -3.464 -4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.382 -3.732 -5.924 1.00 0.00 H new ATOM 1386 N ARG A 84 16.988 3.606 -7.810 1.00 0.00 N ATOM 1387 CA ARG A 84 17.630 3.534 -9.082 1.00 0.00 C ATOM 1388 C ARG A 84 18.680 4.605 -9.251 1.00 0.00 C ATOM 1389 O ARG A 84 19.857 4.282 -9.448 1.00 0.00 O ATOM 1390 CB ARG A 84 16.637 3.560 -10.245 1.00 0.00 C ATOM 1391 CG ARG A 84 17.237 3.090 -11.556 1.00 0.00 C ATOM 1392 CD ARG A 84 17.623 1.633 -11.445 1.00 0.00 C ATOM 1393 NE ARG A 84 18.220 1.098 -12.666 1.00 0.00 N ATOM 1394 CZ ARG A 84 18.210 -0.197 -13.019 1.00 0.00 C ATOM 1395 NH1 ARG A 84 17.467 -1.071 -12.349 1.00 0.00 N ATOM 1396 NH2 ARG A 84 18.919 -0.604 -14.050 1.00 0.00 N ATOM 0 H ARG A 84 16.241 4.294 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 84 18.132 2.567 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.782 2.930 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.260 4.575 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.519 3.226 -12.365 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.113 3.691 -11.803 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.327 1.513 -10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.738 1.048 -11.195 1.00 0.00 H new ATOM 0 HE ARG A 84 18.678 1.756 -13.296 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.899 -0.759 -11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.464 -2.054 -12.623 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.477 0.065 -14.581 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.911 -1.588 -14.318 1.00 0.00 H new ATOM 1410 N SER A 85 18.298 5.859 -9.139 1.00 0.00 N ATOM 1411 CA SER A 85 19.224 6.953 -9.420 1.00 0.00 C ATOM 1412 C SER A 85 18.784 8.317 -8.827 1.00 0.00 C ATOM 1413 O SER A 85 17.937 9.001 -9.412 1.00 0.00 O ATOM 1414 CB SER A 85 19.378 7.106 -10.954 1.00 0.00 C ATOM 1415 OG SER A 85 19.938 5.939 -11.564 1.00 0.00 O ATOM 0 H SER A 85 17.362 6.153 -8.858 1.00 0.00 H new ATOM 0 HA SER A 85 20.167 6.689 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.403 7.311 -11.396 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.013 7.966 -11.169 1.00 0.00 H new ATOM 0 HG SER A 85 20.219 5.309 -10.868 1.00 0.00 H new ATOM 1421 N ARG A 86 19.303 8.673 -7.646 1.00 0.00 N ATOM 1422 CA ARG A 86 19.150 10.020 -7.125 1.00 0.00 C ATOM 1423 C ARG A 86 20.244 10.315 -6.073 1.00 0.00 C ATOM 1424 O ARG A 86 20.745 11.431 -5.979 1.00 0.00 O ATOM 1425 CB ARG A 86 17.751 10.288 -6.532 1.00 0.00 C ATOM 1426 CG ARG A 86 17.581 9.897 -5.097 1.00 0.00 C ATOM 1427 CD ARG A 86 16.213 10.299 -4.605 1.00 0.00 C ATOM 1428 NE ARG A 86 16.180 10.631 -3.186 1.00 0.00 N ATOM 1429 CZ ARG A 86 15.130 10.405 -2.385 1.00 0.00 C ATOM 1430 NH1 ARG A 86 14.131 9.618 -2.790 1.00 0.00 N ATOM 1431 NH2 ARG A 86 15.091 10.944 -1.188 1.00 0.00 N ATOM 0 H ARG A 86 19.830 8.043 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 86 19.263 10.696 -7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 86 17.530 11.351 -6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 86 17.013 9.752 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 17.713 8.820 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.349 10.375 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.867 11.158 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.513 9.485 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 86 17.009 11.063 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.165 9.185 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.334 9.449 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.860 11.534 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.292 10.773 -0.577 1.00 0.00 H new ATOM 1445 N LEU A 87 20.630 9.296 -5.309 1.00 0.00 N ATOM 1446 CA LEU A 87 21.605 9.461 -4.233 1.00 0.00 C ATOM 1447 C LEU A 87 23.021 9.466 -4.789 1.00 0.00 C ATOM 1448 O LEU A 87 23.251 8.989 -5.913 1.00 0.00 O ATOM 1449 CB LEU A 87 21.444 8.331 -3.202 1.00 0.00 C ATOM 1450 CG LEU A 87 20.063 8.212 -2.529 1.00 0.00 C ATOM 1451 CD1 LEU A 87 20.012 6.993 -1.626 1.00 0.00 C ATOM 1452 CD2 LEU A 87 19.738 9.466 -1.731 1.00 0.00 C ATOM 0 H LEU A 87 20.281 8.343 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 87 21.425 10.418 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.667 7.384 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.193 8.470 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 87 19.316 8.099 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.029 6.926 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.195 6.095 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.775 7.081 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.758 9.357 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.493 9.611 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.730 10.329 -2.397 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 12.206 4.893 10.015 1.00 0.00 N ATOM 1466 CA GLY B 101 11.558 5.922 9.233 1.00 0.00 C ATOM 1467 C GLY B 101 11.689 7.259 9.885 1.00 0.00 C ATOM 1468 O GLY B 101 12.502 8.077 9.477 1.00 0.00 O ATOM 0 HA2 GLY B 101 11.998 5.956 8.236 1.00 0.00 H new ATOM 0 HA3 GLY B 101 10.503 5.677 9.108 1.00 0.00 H new ATOM 1472 N SER B 102 10.970 7.446 10.962 1.00 0.00 N ATOM 1473 CA SER B 102 10.979 8.696 11.707 1.00 0.00 C ATOM 1474 C SER B 102 12.217 8.751 12.642 1.00 0.00 C ATOM 1475 O SER B 102 12.238 9.480 13.639 1.00 0.00 O ATOM 1476 CB SER B 102 9.698 8.755 12.538 1.00 0.00 C ATOM 1477 OG SER B 102 8.552 8.432 11.741 1.00 0.00 O ATOM 0 H SER B 102 10.354 6.735 11.356 1.00 0.00 H new ATOM 0 HA SER B 102 11.030 9.543 11.023 1.00 0.00 H new ATOM 0 HB2 SER B 102 9.771 8.060 13.374 1.00 0.00 H new ATOM 0 HB3 SER B 102 9.581 9.752 12.962 1.00 0.00 H new ATOM 0 HG SER B 102 7.745 8.475 12.296 1.00 0.00 H new ATOM 1483 N MET B 103 13.253 8.007 12.271 1.00 0.00 N ATOM 1484 CA MET B 103 14.471 7.871 13.059 1.00 0.00 C ATOM 1485 C MET B 103 15.353 9.080 12.886 1.00 0.00 C ATOM 1486 O MET B 103 16.067 9.467 13.799 1.00 0.00 O ATOM 1487 CB MET B 103 15.255 6.645 12.603 1.00 0.00 C ATOM 1488 CG MET B 103 14.523 5.327 12.719 1.00 0.00 C ATOM 1489 SD MET B 103 15.423 3.960 11.946 1.00 0.00 S ATOM 1490 CE MET B 103 16.960 3.974 12.883 1.00 0.00 C ATOM 0 H MET B 103 13.270 7.474 11.402 1.00 0.00 H new ATOM 0 HA MET B 103 14.182 7.770 14.105 1.00 0.00 H new ATOM 0 HB2 MET B 103 15.548 6.788 11.563 1.00 0.00 H new ATOM 0 HB3 MET B 103 16.173 6.584 13.187 1.00 0.00 H new ATOM 0 HG2 MET B 103 14.358 5.099 13.772 1.00 0.00 H new ATOM 0 HG3 MET B 103 13.541 5.419 12.255 1.00 0.00 H new ATOM 0 HE1 MET B 103 17.499 3.042 12.713 1.00 0.00 H new ATOM 0 HE2 MET B 103 17.576 4.813 12.559 1.00 0.00 H new ATOM 0 HE3 MET B 103 16.738 4.076 13.945 1.00 0.00 H new ATOM 1500 N SER B 104 15.283 9.689 11.727 1.00 0.00 N ATOM 1501 CA SER B 104 16.107 10.826 11.435 1.00 0.00 C ATOM 1502 C SER B 104 15.346 11.759 10.507 1.00 0.00 C ATOM 1503 O SER B 104 15.089 12.913 10.848 1.00 0.00 O ATOM 1504 CB SER B 104 17.448 10.361 10.817 1.00 0.00 C ATOM 1505 OG SER B 104 18.370 11.428 10.667 1.00 0.00 O ATOM 0 H SER B 104 14.659 9.411 10.970 1.00 0.00 H new ATOM 0 HA SER B 104 16.344 11.370 12.349 1.00 0.00 H new ATOM 0 HB2 SER B 104 17.888 9.589 11.448 1.00 0.00 H new ATOM 0 HB3 SER B 104 17.259 9.907 9.844 1.00 0.00 H new ATOM 0 HG SER B 104 19.202 11.089 10.275 1.00 0.00 H new ATOM 1511 N HIS B 105 14.967 11.254 9.347 1.00 0.00 N ATOM 1512 CA HIS B 105 14.178 12.031 8.407 1.00 0.00 C ATOM 1513 C HIS B 105 12.752 12.096 8.914 1.00 0.00 C ATOM 1514 O HIS B 105 12.046 11.108 8.876 1.00 0.00 O ATOM 1515 CB HIS B 105 14.191 11.391 7.001 1.00 0.00 C ATOM 1516 CG HIS B 105 15.525 11.375 6.302 1.00 0.00 C ATOM 1517 ND1 HIS B 105 16.422 10.331 6.376 1.00 0.00 N ATOM 1518 CD2 HIS B 105 16.077 12.277 5.457 1.00 0.00 C ATOM 1519 CE1 HIS B 105 17.461 10.620 5.591 1.00 0.00 C ATOM 1520 NE2 HIS B 105 17.304 11.792 5.006 1.00 0.00 N ATOM 0 H HIS B 105 15.192 10.310 9.033 1.00 0.00 H new ATOM 0 HA HIS B 105 14.607 13.030 8.328 1.00 0.00 H new ATOM 0 HB2 HIS B 105 13.834 10.365 7.086 1.00 0.00 H new ATOM 0 HB3 HIS B 105 13.479 11.925 6.372 1.00 0.00 H new ATOM 0 HD1 HIS B 105 16.311 9.485 6.934 1.00 0.00 H new ATOM 0 HD2 HIS B 105 15.637 13.223 5.177 1.00 0.00 H new ATOM 0 HE1 HIS B 105 18.319 9.978 5.452 1.00 0.00 H new ATOM 1528 N TYR B 106 12.339 13.230 9.429 1.00 0.00 N ATOM 1529 CA TYR B 106 10.981 13.336 9.951 1.00 0.00 C ATOM 1530 C TYR B 106 10.037 13.953 8.934 1.00 0.00 C ATOM 1531 O TYR B 106 8.846 14.153 9.200 1.00 0.00 O ATOM 1532 CB TYR B 106 10.915 14.038 11.327 1.00 0.00 C ATOM 1533 CG TYR B 106 11.415 15.472 11.389 1.00 0.00 C ATOM 1534 CD1 TYR B 106 12.747 15.755 11.644 1.00 0.00 C ATOM 1535 CD2 TYR B 106 10.541 16.540 11.235 1.00 0.00 C ATOM 1536 CE1 TYR B 106 13.199 17.057 11.732 1.00 0.00 C ATOM 1537 CE2 TYR B 106 10.983 17.844 11.329 1.00 0.00 C ATOM 1538 CZ TYR B 106 12.313 18.096 11.574 1.00 0.00 C ATOM 1539 OH TYR B 106 12.755 19.401 11.681 1.00 0.00 O ATOM 0 H TYR B 106 12.901 14.078 9.501 1.00 0.00 H new ATOM 0 HA TYR B 106 10.636 12.317 10.129 1.00 0.00 H new ATOM 0 HB2 TYR B 106 9.879 14.024 11.666 1.00 0.00 H new ATOM 0 HB3 TYR B 106 11.491 13.446 12.038 1.00 0.00 H new ATOM 0 HD1 TYR B 106 13.445 14.942 11.777 1.00 0.00 H new ATOM 0 HD2 TYR B 106 9.497 16.347 11.038 1.00 0.00 H new ATOM 0 HE1 TYR B 106 14.243 17.258 11.924 1.00 0.00 H new ATOM 0 HE2 TYR B 106 10.288 18.662 11.211 1.00 0.00 H new ATOM 0 HH TYR B 106 12.003 20.014 11.542 1.00 0.00 H new ATOM 1549 N GLY B 107 10.564 14.258 7.782 1.00 0.00 N ATOM 1550 CA GLY B 107 9.751 14.737 6.705 1.00 0.00 C ATOM 1551 C GLY B 107 9.636 13.674 5.659 1.00 0.00 C ATOM 1552 O GLY B 107 8.563 13.099 5.447 1.00 0.00 O ATOM 0 H GLY B 107 11.558 14.182 7.566 1.00 0.00 H new ATOM 0 HA2 GLY B 107 8.762 15.008 7.074 1.00 0.00 H new ATOM 0 HA3 GLY B 107 10.189 15.638 6.277 1.00 0.00 H new ATOM 1556 N ASN B 108 10.754 13.353 5.066 1.00 0.00 N ATOM 1557 CA ASN B 108 10.848 12.322 4.050 1.00 0.00 C ATOM 1558 C ASN B 108 11.228 11.012 4.700 1.00 0.00 C ATOM 1559 O ASN B 108 12.159 10.326 4.276 1.00 0.00 O ATOM 1560 CB ASN B 108 11.859 12.717 2.962 1.00 0.00 C ATOM 1561 CG ASN B 108 11.456 13.983 2.219 1.00 0.00 C ATOM 1562 OD1 ASN B 108 11.824 15.089 2.609 1.00 0.00 O ATOM 1563 ND2 ASN B 108 10.703 13.843 1.155 1.00 0.00 N ATOM 0 H ASN B 108 11.645 13.804 5.274 1.00 0.00 H new ATOM 0 HA ASN B 108 9.879 12.206 3.565 1.00 0.00 H new ATOM 0 HB2 ASN B 108 12.838 12.864 3.418 1.00 0.00 H new ATOM 0 HB3 ASN B 108 11.958 11.898 2.249 1.00 0.00 H new ATOM 0 HD21 ASN B 108 10.408 14.665 0.628 1.00 0.00 H new ATOM 0 HD22 ASN B 108 10.413 12.913 0.855 1.00 0.00 H new ATOM 1570 N GLN B 109 10.456 10.654 5.714 1.00 0.00 N ATOM 1571 CA GLN B 109 10.656 9.441 6.495 1.00 0.00 C ATOM 1572 C GLN B 109 10.579 8.187 5.639 1.00 0.00 C ATOM 1573 O GLN B 109 11.251 7.174 5.924 1.00 0.00 O ATOM 1574 CB GLN B 109 9.691 9.398 7.725 1.00 0.00 C ATOM 1575 CG GLN B 109 8.201 9.697 7.452 1.00 0.00 C ATOM 1576 CD GLN B 109 7.453 8.613 6.689 1.00 0.00 C ATOM 1577 OE1 GLN B 109 7.748 7.423 6.807 1.00 0.00 O ATOM 1578 NE2 GLN B 109 6.499 9.018 5.897 1.00 0.00 N ATOM 0 H GLN B 109 9.658 11.208 6.024 1.00 0.00 H new ATOM 0 HA GLN B 109 11.672 9.466 6.890 1.00 0.00 H new ATOM 0 HB2 GLN B 109 9.762 8.409 8.178 1.00 0.00 H new ATOM 0 HB3 GLN B 109 10.051 10.113 8.464 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.699 9.860 8.406 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.131 10.629 6.891 1.00 0.00 H new ATOM 0 HE21 GLN B 109 6.283 10.012 5.825 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.969 8.340 5.349 1.00 0.00 H new ATOM 1587 N THR B 110 9.823 8.275 4.556 1.00 0.00 N ATOM 1588 CA THR B 110 9.651 7.168 3.682 1.00 0.00 C ATOM 1589 C THR B 110 10.967 6.811 2.970 1.00 0.00 C ATOM 1590 O THR B 110 11.166 5.667 2.627 1.00 0.00 O ATOM 1591 CB THR B 110 8.492 7.390 2.661 1.00 0.00 C ATOM 1592 OG1 THR B 110 8.227 6.173 1.957 1.00 0.00 O ATOM 1593 CG2 THR B 110 8.831 8.488 1.654 1.00 0.00 C ATOM 0 H THR B 110 9.322 9.118 4.275 1.00 0.00 H new ATOM 0 HA THR B 110 9.363 6.318 4.301 1.00 0.00 H new ATOM 0 HB THR B 110 7.611 7.700 3.223 1.00 0.00 H new ATOM 0 HG1 THR B 110 7.361 5.813 2.241 1.00 0.00 H new ATOM 0 HG21 THR B 110 8.000 8.614 0.960 1.00 0.00 H new ATOM 0 HG22 THR B 110 9.007 9.425 2.183 1.00 0.00 H new ATOM 0 HG23 THR B 110 9.728 8.210 1.100 1.00 0.00 H new ATOM 1601 N LEU B 111 11.887 7.778 2.814 1.00 0.00 N ATOM 1602 CA LEU B 111 13.166 7.507 2.142 1.00 0.00 C ATOM 1603 C LEU B 111 13.908 6.370 2.842 1.00 0.00 C ATOM 1604 O LEU B 111 14.131 5.283 2.243 1.00 0.00 O ATOM 1605 CB LEU B 111 14.054 8.772 2.077 1.00 0.00 C ATOM 1606 CG LEU B 111 15.517 8.577 1.595 1.00 0.00 C ATOM 1607 CD1 LEU B 111 15.590 8.018 0.175 1.00 0.00 C ATOM 1608 CD2 LEU B 111 16.286 9.885 1.689 1.00 0.00 C ATOM 0 H LEU B 111 11.771 8.738 3.138 1.00 0.00 H new ATOM 0 HA LEU B 111 12.944 7.205 1.119 1.00 0.00 H new ATOM 0 HB2 LEU B 111 13.572 9.492 1.416 1.00 0.00 H new ATOM 0 HB3 LEU B 111 14.081 9.220 3.070 1.00 0.00 H new ATOM 0 HG LEU B 111 15.978 7.842 2.255 1.00 0.00 H new ATOM 0 HD11 LEU B 111 16.634 7.900 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU B 111 15.091 7.050 0.139 1.00 0.00 H new ATOM 0 HD13 LEU B 111 15.097 8.706 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 111 17.310 9.731 1.347 1.00 0.00 H new ATOM 0 HD22 LEU B 111 15.804 10.636 1.063 1.00 0.00 H new ATOM 0 HD23 LEU B 111 16.297 10.227 2.724 1.00 0.00 H new ATOM 1620 N GLN B 112 14.206 6.574 4.112 1.00 0.00 N ATOM 1621 CA GLN B 112 14.975 5.613 4.864 1.00 0.00 C ATOM 1622 C GLN B 112 14.138 4.389 5.252 1.00 0.00 C ATOM 1623 O GLN B 112 14.643 3.264 5.240 1.00 0.00 O ATOM 1624 CB GLN B 112 15.651 6.248 6.092 1.00 0.00 C ATOM 1625 CG GLN B 112 14.710 6.753 7.174 1.00 0.00 C ATOM 1626 CD GLN B 112 15.466 7.329 8.351 1.00 0.00 C ATOM 1627 OE1 GLN B 112 15.741 8.533 8.411 1.00 0.00 O ATOM 1628 NE2 GLN B 112 15.824 6.483 9.280 1.00 0.00 N ATOM 0 H GLN B 112 13.924 7.400 4.641 1.00 0.00 H new ATOM 0 HA GLN B 112 15.771 5.264 4.205 1.00 0.00 H new ATOM 0 HB2 GLN B 112 16.323 5.513 6.535 1.00 0.00 H new ATOM 0 HB3 GLN B 112 16.268 7.081 5.754 1.00 0.00 H new ATOM 0 HG2 GLN B 112 14.052 7.515 6.757 1.00 0.00 H new ATOM 0 HG3 GLN B 112 14.075 5.935 7.515 1.00 0.00 H new ATOM 0 HE21 GLN B 112 15.578 5.497 9.194 1.00 0.00 H new ATOM 0 HE22 GLN B 112 16.350 6.809 10.091 1.00 0.00 H new ATOM 1637 N ASP B 113 12.852 4.590 5.550 1.00 0.00 N ATOM 1638 CA ASP B 113 11.992 3.466 5.964 1.00 0.00 C ATOM 1639 C ASP B 113 11.765 2.511 4.815 1.00 0.00 C ATOM 1640 O ASP B 113 11.901 1.286 4.960 1.00 0.00 O ATOM 1641 CB ASP B 113 10.647 3.939 6.520 1.00 0.00 C ATOM 1642 CG ASP B 113 9.793 2.786 7.017 1.00 0.00 C ATOM 1643 OD1 ASP B 113 9.954 2.352 8.195 1.00 0.00 O ATOM 1644 OD2 ASP B 113 8.969 2.277 6.257 1.00 0.00 O ATOM 0 H ASP B 113 12.386 5.497 5.516 1.00 0.00 H new ATOM 0 HA ASP B 113 12.519 2.947 6.765 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.820 4.639 7.337 1.00 0.00 H new ATOM 0 HB3 ASP B 113 10.106 4.481 5.745 1.00 0.00 H new ATOM 1649 N LEU B 114 11.467 3.062 3.661 1.00 0.00 N ATOM 1650 CA LEU B 114 11.245 2.266 2.486 1.00 0.00 C ATOM 1651 C LEU B 114 12.549 1.642 2.027 1.00 0.00 C ATOM 1652 O LEU B 114 12.549 0.551 1.524 1.00 0.00 O ATOM 1653 CB LEU B 114 10.587 3.097 1.383 1.00 0.00 C ATOM 1654 CG LEU B 114 10.314 2.429 0.039 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.452 1.201 0.205 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.635 3.419 -0.876 1.00 0.00 C ATOM 0 H LEU B 114 11.373 4.067 3.515 1.00 0.00 H new ATOM 0 HA LEU B 114 10.556 1.457 2.729 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.638 3.469 1.768 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.219 3.966 1.200 1.00 0.00 H new ATOM 0 HG LEU B 114 11.263 2.113 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.275 0.747 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.959 0.485 0.852 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.499 1.483 0.653 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.437 2.948 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.694 3.741 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.283 4.284 -1.021 1.00 0.00 H new ATOM 1668 N LEU B 115 13.675 2.331 2.242 1.00 0.00 N ATOM 1669 CA LEU B 115 14.973 1.755 1.875 1.00 0.00 C ATOM 1670 C LEU B 115 15.294 0.553 2.777 1.00 0.00 C ATOM 1671 O LEU B 115 15.836 -0.449 2.324 1.00 0.00 O ATOM 1672 CB LEU B 115 16.089 2.809 1.937 1.00 0.00 C ATOM 1673 CG LEU B 115 17.479 2.366 1.457 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.434 1.898 0.004 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.475 3.502 1.610 1.00 0.00 C ATOM 0 H LEU B 115 13.716 3.262 2.656 1.00 0.00 H new ATOM 0 HA LEU B 115 14.914 1.407 0.844 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.780 3.668 1.341 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.177 3.152 2.968 1.00 0.00 H new ATOM 0 HG LEU B 115 17.799 1.527 2.075 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.431 1.590 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU B 115 16.749 1.055 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.090 2.714 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.456 3.174 1.266 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.148 4.355 1.015 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.537 3.793 2.659 1.00 0.00 H new ATOM 1687 N THR B 116 14.914 0.654 4.038 1.00 0.00 N ATOM 1688 CA THR B 116 15.091 -0.430 4.990 1.00 0.00 C ATOM 1689 C THR B 116 14.229 -1.643 4.579 1.00 0.00 C ATOM 1690 O THR B 116 14.714 -2.784 4.536 1.00 0.00 O ATOM 1691 CB THR B 116 14.720 0.047 6.418 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.549 1.179 6.760 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.926 -1.058 7.451 1.00 0.00 C ATOM 0 H THR B 116 14.475 1.487 4.431 1.00 0.00 H new ATOM 0 HA THR B 116 16.138 -0.735 4.990 1.00 0.00 H new ATOM 0 HB THR B 116 13.665 0.322 6.426 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.267 1.960 6.239 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.656 -0.687 8.440 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.298 -1.913 7.200 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.972 -1.365 7.452 1.00 0.00 H new ATOM 1701 N SER B 117 12.979 -1.370 4.251 1.00 0.00 N ATOM 1702 CA SER B 117 12.041 -2.378 3.797 1.00 0.00 C ATOM 1703 C SER B 117 12.505 -2.988 2.454 1.00 0.00 C ATOM 1704 O SER B 117 12.395 -4.192 2.228 1.00 0.00 O ATOM 1705 CB SER B 117 10.666 -1.723 3.669 1.00 0.00 C ATOM 1706 OG SER B 117 10.316 -1.058 4.894 1.00 0.00 O ATOM 0 H SER B 117 12.583 -0.431 4.293 1.00 0.00 H new ATOM 0 HA SER B 117 11.988 -3.197 4.515 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.671 -1.007 2.847 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.917 -2.478 3.430 1.00 0.00 H new ATOM 0 HG SER B 117 10.764 -0.187 4.933 1.00 0.00 H new ATOM 1712 N ASP B 118 13.052 -2.144 1.603 1.00 0.00 N ATOM 1713 CA ASP B 118 13.602 -2.539 0.308 1.00 0.00 C ATOM 1714 C ASP B 118 14.763 -3.498 0.458 1.00 0.00 C ATOM 1715 O ASP B 118 14.811 -4.536 -0.203 1.00 0.00 O ATOM 1716 CB ASP B 118 14.053 -1.301 -0.463 1.00 0.00 C ATOM 1717 CG ASP B 118 14.965 -1.617 -1.620 1.00 0.00 C ATOM 1718 OD1 ASP B 118 16.195 -1.640 -1.413 1.00 0.00 O ATOM 1719 OD2 ASP B 118 14.484 -1.799 -2.753 1.00 0.00 O ATOM 0 H ASP B 118 13.132 -1.144 1.789 1.00 0.00 H new ATOM 0 HA ASP B 118 12.814 -3.053 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.175 -0.774 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP B 118 14.566 -0.623 0.220 1.00 0.00 H new ATOM 1724 N SER B 119 15.677 -3.161 1.355 1.00 0.00 N ATOM 1725 CA SER B 119 16.879 -3.941 1.588 1.00 0.00 C ATOM 1726 C SER B 119 16.536 -5.372 2.061 1.00 0.00 C ATOM 1727 O SER B 119 17.334 -6.295 1.897 1.00 0.00 O ATOM 1728 CB SER B 119 17.786 -3.209 2.600 1.00 0.00 C ATOM 1729 OG SER B 119 19.080 -3.813 2.701 1.00 0.00 O ATOM 0 H SER B 119 15.603 -2.332 1.945 1.00 0.00 H new ATOM 0 HA SER B 119 17.421 -4.042 0.648 1.00 0.00 H new ATOM 0 HB2 SER B 119 17.896 -2.167 2.300 1.00 0.00 H new ATOM 0 HB3 SER B 119 17.309 -3.210 3.580 1.00 0.00 H new ATOM 0 HG SER B 119 19.622 -3.318 3.350 1.00 0.00 H new ATOM 1735 N LEU B 120 15.343 -5.540 2.620 1.00 0.00 N ATOM 1736 CA LEU B 120 14.856 -6.821 3.048 1.00 0.00 C ATOM 1737 C LEU B 120 14.670 -7.726 1.815 1.00 0.00 C ATOM 1738 O LEU B 120 15.052 -8.897 1.825 1.00 0.00 O ATOM 1739 CB LEU B 120 13.546 -6.603 3.854 1.00 0.00 C ATOM 1740 CG LEU B 120 12.847 -7.823 4.471 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.930 -7.369 5.598 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.015 -8.572 3.438 1.00 0.00 C ATOM 0 H LEU B 120 14.689 -4.775 2.785 1.00 0.00 H new ATOM 0 HA LEU B 120 15.564 -7.326 3.705 1.00 0.00 H new ATOM 0 HB2 LEU B 120 13.767 -5.906 4.662 1.00 0.00 H new ATOM 0 HB3 LEU B 120 12.831 -6.111 3.195 1.00 0.00 H new ATOM 0 HG LEU B 120 13.619 -8.493 4.849 1.00 0.00 H new ATOM 0 HD11 LEU B 120 11.434 -8.236 6.035 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.518 -6.863 6.364 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.180 -6.683 5.203 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.535 -9.429 3.910 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.253 -7.907 3.033 1.00 0.00 H new ATOM 0 HD23 LEU B 120 12.661 -8.917 2.631 1.00 0.00 H new ATOM 1754 N SER B 121 14.094 -7.176 0.769 1.00 0.00 N ATOM 1755 CA SER B 121 13.932 -7.889 -0.475 1.00 0.00 C ATOM 1756 C SER B 121 15.265 -7.931 -1.243 1.00 0.00 C ATOM 1757 O SER B 121 15.654 -8.985 -1.766 1.00 0.00 O ATOM 1758 CB SER B 121 12.837 -7.236 -1.301 1.00 0.00 C ATOM 1759 OG SER B 121 11.625 -7.213 -0.567 1.00 0.00 O ATOM 0 H SER B 121 13.726 -6.225 0.758 1.00 0.00 H new ATOM 0 HA SER B 121 13.637 -8.918 -0.268 1.00 0.00 H new ATOM 0 HB2 SER B 121 13.129 -6.221 -1.569 1.00 0.00 H new ATOM 0 HB3 SER B 121 12.697 -7.784 -2.233 1.00 0.00 H new ATOM 0 HG SER B 121 10.889 -6.949 -1.158 1.00 0.00 H new ATOM 1765 N HIS B 122 15.929 -6.765 -1.311 1.00 0.00 N ATOM 1766 CA HIS B 122 17.256 -6.547 -1.933 1.00 0.00 C ATOM 1767 C HIS B 122 17.239 -6.611 -3.484 1.00 0.00 C ATOM 1768 O HIS B 122 17.926 -5.822 -4.152 1.00 0.00 O ATOM 1769 CB HIS B 122 18.342 -7.479 -1.321 1.00 0.00 C ATOM 1770 CG HIS B 122 19.747 -7.212 -1.803 1.00 0.00 C ATOM 1771 ND1 HIS B 122 20.622 -6.339 -1.190 1.00 0.00 N ATOM 1772 CD2 HIS B 122 20.422 -7.727 -2.860 1.00 0.00 C ATOM 1773 CE1 HIS B 122 21.764 -6.347 -1.873 1.00 0.00 C ATOM 1774 NE2 HIS B 122 21.696 -7.176 -2.900 1.00 0.00 N ATOM 0 H HIS B 122 15.542 -5.907 -0.918 1.00 0.00 H new ATOM 0 HA HIS B 122 17.528 -5.520 -1.690 1.00 0.00 H new ATOM 0 HB2 HIS B 122 18.319 -7.377 -0.236 1.00 0.00 H new ATOM 0 HB3 HIS B 122 18.084 -8.513 -1.550 1.00 0.00 H new ATOM 0 HD2 HIS B 122 20.031 -8.451 -3.560 1.00 0.00 H new ATOM 0 HE1 HIS B 122 22.631 -5.755 -1.621 1.00 0.00 H new ATOM 0 HE2 HIS B 122 22.429 -7.371 -3.582 1.00 0.00 H new ATOM 1782 N SER B 123 16.480 -7.517 -4.039 1.00 0.00 N ATOM 1783 CA SER B 123 16.412 -7.693 -5.471 1.00 0.00 C ATOM 1784 C SER B 123 15.457 -6.676 -6.156 1.00 0.00 C ATOM 1785 O SER B 123 15.007 -5.706 -5.523 1.00 0.00 O ATOM 1786 CB SER B 123 16.072 -9.152 -5.780 1.00 0.00 C ATOM 1787 OG SER B 123 15.003 -9.618 -4.963 1.00 0.00 O ATOM 0 H SER B 123 15.888 -8.158 -3.512 1.00 0.00 H new ATOM 0 HA SER B 123 17.389 -7.473 -5.902 1.00 0.00 H new ATOM 0 HB2 SER B 123 15.799 -9.249 -6.831 1.00 0.00 H new ATOM 0 HB3 SER B 123 16.952 -9.774 -5.621 1.00 0.00 H new ATOM 0 HG SER B 123 14.806 -10.552 -5.183 1.00 0.00 H new ATOM 1793 N ASP B 124 15.201 -6.865 -7.453 1.00 0.00 N ATOM 1794 CA ASP B 124 14.365 -5.938 -8.225 1.00 0.00 C ATOM 1795 C ASP B 124 12.880 -6.354 -8.120 1.00 0.00 C ATOM 1796 O ASP B 124 12.568 -7.405 -7.547 1.00 0.00 O ATOM 1797 CB ASP B 124 14.848 -5.904 -9.696 1.00 0.00 C ATOM 1798 CG ASP B 124 14.261 -4.775 -10.521 1.00 0.00 C ATOM 1799 OD1 ASP B 124 13.204 -4.954 -11.136 1.00 0.00 O ATOM 1800 OD2 ASP B 124 14.867 -3.693 -10.579 1.00 0.00 O ATOM 0 H ASP B 124 15.561 -7.652 -7.993 1.00 0.00 H new ATOM 0 HA ASP B 124 14.456 -4.931 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP B 124 15.935 -5.819 -9.707 1.00 0.00 H new ATOM 0 HB3 ASP B 124 14.597 -6.853 -10.170 1.00 0.00 H new ATOM 1805 N GLY B 125 11.993 -5.572 -8.710 1.00 0.00 N ATOM 1806 CA GLY B 125 10.575 -5.774 -8.551 1.00 0.00 C ATOM 1807 C GLY B 125 9.951 -6.709 -9.575 1.00 0.00 C ATOM 1808 O GLY B 125 9.965 -6.445 -10.782 1.00 0.00 O ATOM 0 H GLY B 125 12.240 -4.784 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY B 125 10.387 -6.171 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY B 125 10.075 -4.807 -8.608 1.00 0.00 H new ATOM 1812 N GLY B 126 9.411 -7.779 -9.087 1.00 0.00 N ATOM 1813 CA GLY B 126 8.694 -8.729 -9.879 1.00 0.00 C ATOM 1814 C GLY B 126 7.510 -9.243 -9.095 1.00 0.00 C ATOM 1815 O GLY B 126 7.684 -9.846 -8.040 1.00 0.00 O ATOM 0 H GLY B 126 9.457 -8.024 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY B 126 8.357 -8.266 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY B 126 9.348 -9.556 -10.155 1.00 0.00 H new ATOM 1819 N GLY B 127 6.312 -8.964 -9.557 1.00 0.00 N ATOM 1820 CA GLY B 127 5.139 -9.396 -8.839 1.00 0.00 C ATOM 1821 C GLY B 127 3.889 -9.253 -9.664 1.00 0.00 C ATOM 1822 O GLY B 127 3.971 -9.098 -10.883 1.00 0.00 O ATOM 0 H GLY B 127 6.127 -8.446 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY B 127 5.259 -10.437 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY B 127 5.038 -8.812 -7.924 1.00 0.00 H new ATOM 1826 N SER B 128 2.753 -9.304 -9.002 1.00 0.00 N ATOM 1827 CA SER B 128 1.442 -9.177 -9.624 1.00 0.00 C ATOM 1828 C SER B 128 1.120 -7.692 -9.917 1.00 0.00 C ATOM 1829 O SER B 128 1.957 -6.810 -9.654 1.00 0.00 O ATOM 1830 CB SER B 128 0.427 -9.771 -8.660 1.00 0.00 C ATOM 1831 OG SER B 128 0.832 -11.081 -8.292 1.00 0.00 O ATOM 0 H SER B 128 2.709 -9.438 -7.992 1.00 0.00 H new ATOM 0 HA SER B 128 1.415 -9.704 -10.578 1.00 0.00 H new ATOM 0 HB2 SER B 128 0.341 -9.143 -7.773 1.00 0.00 H new ATOM 0 HB3 SER B 128 -0.558 -9.801 -9.126 1.00 0.00 H new ATOM 0 HG SER B 128 0.178 -11.463 -7.669 1.00 0.00 H new ATOM 1837 N GLY B 129 -0.058 -7.406 -10.449 1.00 0.00 N ATOM 1838 CA GLY B 129 -0.387 -6.035 -10.767 1.00 0.00 C ATOM 1839 C GLY B 129 -1.871 -5.789 -10.970 1.00 0.00 C ATOM 1840 O GLY B 129 -2.436 -4.867 -10.368 1.00 0.00 O ATOM 0 H GLY B 129 -0.784 -8.090 -10.664 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -0.028 -5.390 -9.965 1.00 0.00 H new ATOM 0 HA3 GLY B 129 0.146 -5.744 -11.672 1.00 0.00 H new ATOM 1844 N GLY B 130 -2.501 -6.605 -11.789 1.00 0.00 N ATOM 1845 CA GLY B 130 -3.908 -6.419 -12.112 1.00 0.00 C ATOM 1846 C GLY B 130 -4.847 -7.067 -11.106 1.00 0.00 C ATOM 1847 O GLY B 130 -4.544 -7.134 -9.904 1.00 0.00 O ATOM 0 H GLY B 130 -2.064 -7.406 -12.246 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -4.124 -5.352 -12.165 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -4.104 -6.833 -13.101 1.00 0.00 H new ATOM 1851 N GLY B 131 -5.974 -7.534 -11.591 1.00 0.00 N ATOM 1852 CA GLY B 131 -6.962 -8.152 -10.743 1.00 0.00 C ATOM 1853 C GLY B 131 -8.127 -7.219 -10.509 1.00 0.00 C ATOM 1854 O GLY B 131 -7.989 -6.009 -10.665 1.00 0.00 O ATOM 0 H GLY B 131 -6.229 -7.496 -12.578 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -7.316 -9.075 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -6.510 -8.424 -9.789 1.00 0.00 H new ATOM 1858 N SER B 132 -9.257 -7.761 -10.145 1.00 0.00 N ATOM 1859 CA SER B 132 -10.437 -6.969 -9.892 1.00 0.00 C ATOM 1860 C SER B 132 -11.293 -7.636 -8.801 1.00 0.00 C ATOM 1861 O SER B 132 -10.872 -8.641 -8.205 1.00 0.00 O ATOM 1862 CB SER B 132 -11.221 -6.802 -11.206 1.00 0.00 C ATOM 1863 OG SER B 132 -11.469 -8.069 -11.823 1.00 0.00 O ATOM 0 H SER B 132 -9.389 -8.764 -10.014 1.00 0.00 H new ATOM 0 HA SER B 132 -10.156 -5.980 -9.530 1.00 0.00 H new ATOM 0 HB2 SER B 132 -12.168 -6.300 -11.007 1.00 0.00 H new ATOM 0 HB3 SER B 132 -10.660 -6.165 -11.889 1.00 0.00 H new ATOM 0 HG SER B 132 -11.970 -7.935 -12.655 1.00 0.00 H new ATOM 1869 N GLY B 133 -12.446 -7.077 -8.534 1.00 0.00 N ATOM 1870 CA GLY B 133 -13.369 -7.623 -7.568 1.00 0.00 C ATOM 1871 C GLY B 133 -14.775 -7.537 -8.112 1.00 0.00 C ATOM 1872 O GLY B 133 -14.963 -7.622 -9.327 1.00 0.00 O ATOM 0 H GLY B 133 -12.775 -6.223 -8.984 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -13.114 -8.660 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -13.297 -7.074 -6.629 1.00 0.00 H new ATOM 1876 N GLY B 134 -15.748 -7.338 -7.258 1.00 0.00 N ATOM 1877 CA GLY B 134 -17.120 -7.247 -7.740 1.00 0.00 C ATOM 1878 C GLY B 134 -18.075 -6.606 -6.753 1.00 0.00 C ATOM 1879 O GLY B 134 -19.260 -6.441 -7.045 1.00 0.00 O ATOM 0 H GLY B 134 -15.631 -7.237 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -17.132 -6.674 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -17.478 -8.248 -7.980 1.00 0.00 H new ATOM 1883 N GLY B 135 -17.584 -6.245 -5.593 1.00 0.00 N ATOM 1884 CA GLY B 135 -18.429 -5.656 -4.593 1.00 0.00 C ATOM 1885 C GLY B 135 -18.693 -4.169 -4.803 1.00 0.00 C ATOM 1886 O GLY B 135 -19.840 -3.766 -4.933 1.00 0.00 O ATOM 0 H GLY B 135 -16.606 -6.350 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -19.382 -6.185 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -17.971 -5.799 -3.614 1.00 0.00 H new ATOM 1890 N SER B 136 -17.649 -3.357 -4.859 1.00 0.00 N ATOM 1891 CA SER B 136 -17.829 -1.919 -4.917 1.00 0.00 C ATOM 1892 C SER B 136 -17.219 -1.232 -6.174 1.00 0.00 C ATOM 1893 O SER B 136 -17.824 -1.227 -7.255 1.00 0.00 O ATOM 1894 CB SER B 136 -17.296 -1.296 -3.621 1.00 0.00 C ATOM 1895 OG SER B 136 -15.918 -1.662 -3.388 1.00 0.00 O ATOM 0 H SER B 136 -16.677 -3.667 -4.865 1.00 0.00 H new ATOM 0 HA SER B 136 -18.900 -1.740 -5.013 1.00 0.00 H new ATOM 0 HB2 SER B 136 -17.382 -0.211 -3.675 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.908 -1.622 -2.780 1.00 0.00 H new ATOM 0 HG SER B 136 -15.825 -2.636 -3.439 1.00 0.00 H new ATOM 1901 N LEU B 137 -16.013 -0.693 -6.015 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.304 0.079 -7.064 1.00 0.00 C ATOM 1903 C LEU B 137 -14.537 -0.889 -7.942 1.00 0.00 C ATOM 1904 O LEU B 137 -14.330 -0.687 -9.133 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.266 0.983 -6.375 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.745 1.819 -5.190 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.553 2.461 -4.506 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.740 2.879 -5.635 1.00 0.00 C ATOM 0 H LEU B 137 -15.483 -0.774 -5.147 1.00 0.00 H new ATOM 0 HA LEU B 137 -16.017 0.660 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.444 0.354 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.859 1.662 -7.124 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.254 1.163 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -13.896 3.057 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -12.875 1.684 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -13.030 3.103 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -16.064 3.459 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -15.266 3.541 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.604 2.398 -6.094 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.179 -1.941 -7.287 1.00 0.00 N ATOM 1921 CA GLU B 138 -13.320 -3.039 -7.714 1.00 0.00 C ATOM 1922 C GLU B 138 -13.766 -3.802 -8.986 1.00 0.00 C ATOM 1923 O GLU B 138 -12.982 -4.579 -9.506 1.00 0.00 O ATOM 1924 CB GLU B 138 -13.309 -3.993 -6.545 1.00 0.00 C ATOM 1925 CG GLU B 138 -14.722 -4.405 -6.207 1.00 0.00 C ATOM 1926 CD GLU B 138 -14.907 -4.964 -4.855 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -15.182 -4.170 -3.930 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -14.930 -6.181 -4.729 1.00 0.00 O ATOM 0 H GLU B 138 -14.507 -2.086 -6.332 1.00 0.00 H new ATOM 0 HA GLU B 138 -12.350 -2.624 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -12.712 -4.872 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -12.842 -3.519 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -15.372 -3.537 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -15.052 -5.144 -6.937 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.001 -3.609 -9.441 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.565 -4.371 -10.575 1.00 0.00 C ATOM 1937 C CYS B 139 -14.647 -4.349 -11.815 1.00 0.00 C ATOM 1938 O CYS B 139 -14.228 -5.406 -12.308 1.00 0.00 O ATOM 1939 CB CYS B 139 -16.958 -3.845 -10.896 1.00 0.00 C ATOM 1940 SG CYS B 139 -18.049 -3.820 -9.454 1.00 0.00 S ATOM 0 H CYS B 139 -15.645 -2.925 -9.043 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.639 -5.418 -10.279 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -16.876 -2.836 -11.301 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.405 -4.465 -11.673 1.00 0.00 H new ATOM 0 HG CYS B 139 -17.792 -2.769 -8.733 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.329 -3.167 -12.291 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.395 -2.990 -13.395 1.00 0.00 C ATOM 1948 C ASP B 140 -12.674 -1.668 -13.221 1.00 0.00 C ATOM 1949 O ASP B 140 -13.034 -0.630 -13.767 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.042 -3.158 -14.812 1.00 0.00 C ATOM 1951 CG ASP B 140 -15.095 -2.131 -15.194 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -16.232 -2.187 -14.681 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -14.817 -1.262 -16.054 1.00 0.00 O ATOM 0 H ASP B 140 -14.709 -2.293 -11.926 1.00 0.00 H new ATOM 0 HA ASP B 140 -12.667 -3.800 -13.355 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -13.247 -3.128 -15.557 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -14.493 -4.149 -14.867 1.00 0.00 H new ATOM 1958 N MET B 141 -11.743 -1.696 -12.334 1.00 0.00 N ATOM 1959 CA MET B 141 -10.999 -0.519 -11.962 1.00 0.00 C ATOM 1960 C MET B 141 -9.606 -0.491 -12.543 1.00 0.00 C ATOM 1961 O MET B 141 -8.990 0.548 -12.563 1.00 0.00 O ATOM 1962 CB MET B 141 -10.940 -0.374 -10.457 1.00 0.00 C ATOM 1963 CG MET B 141 -10.333 -1.554 -9.727 1.00 0.00 C ATOM 1964 SD MET B 141 -10.328 -1.317 -7.948 1.00 0.00 S ATOM 1965 CE MET B 141 -9.616 -2.866 -7.419 1.00 0.00 C ATOM 0 H MET B 141 -11.465 -2.540 -11.834 1.00 0.00 H new ATOM 0 HA MET B 141 -11.537 0.329 -12.386 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.365 0.520 -10.215 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.951 -0.214 -10.082 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.893 -2.457 -9.970 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.312 -1.708 -10.075 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.379 -2.813 -6.356 1.00 0.00 H new ATOM 0 HE2 MET B 141 -10.329 -3.672 -7.592 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.705 -3.060 -7.985 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.148 -1.642 -12.987 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.759 -1.924 -13.460 1.00 0.00 C ATOM 1977 C GLU B 142 -6.988 -0.726 -14.067 1.00 0.00 C ATOM 1978 O GLU B 142 -5.954 -0.324 -13.532 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.701 -3.122 -14.426 1.00 0.00 C ATOM 1980 CG GLU B 142 -8.240 -4.442 -13.869 1.00 0.00 C ATOM 1981 CD GLU B 142 -9.749 -4.520 -13.879 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -10.396 -4.038 -12.934 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -10.309 -5.059 -14.867 1.00 0.00 O ATOM 0 H GLU B 142 -9.746 -2.467 -13.041 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.239 -2.167 -12.533 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.264 -2.870 -15.325 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -6.665 -3.272 -14.730 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -7.836 -5.268 -14.454 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -7.883 -4.571 -12.847 1.00 0.00 H new ATOM 1990 N SER B 143 -7.484 -0.153 -15.138 1.00 0.00 N ATOM 1991 CA SER B 143 -6.790 0.950 -15.798 1.00 0.00 C ATOM 1992 C SER B 143 -6.782 2.217 -14.921 1.00 0.00 C ATOM 1993 O SER B 143 -5.785 2.943 -14.858 1.00 0.00 O ATOM 1994 CB SER B 143 -7.447 1.230 -17.139 1.00 0.00 C ATOM 1995 OG SER B 143 -7.524 0.038 -17.911 1.00 0.00 O ATOM 0 H SER B 143 -8.363 -0.425 -15.578 1.00 0.00 H new ATOM 0 HA SER B 143 -5.751 0.661 -15.957 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.447 1.636 -16.984 1.00 0.00 H new ATOM 0 HB3 SER B 143 -6.877 1.985 -17.680 1.00 0.00 H new ATOM 0 HG SER B 143 -7.951 0.233 -18.771 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.862 2.424 -14.199 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.023 3.589 -13.350 1.00 0.00 C ATOM 2003 C ILE B 144 -7.112 3.457 -12.130 1.00 0.00 C ATOM 2004 O ILE B 144 -6.380 4.385 -11.784 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.501 3.740 -12.878 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.450 3.775 -14.089 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.669 5.006 -12.032 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -11.926 3.814 -13.724 1.00 0.00 C ATOM 0 H ILE B 144 -8.658 1.787 -14.183 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.754 4.474 -13.926 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.755 2.878 -12.262 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.214 4.649 -14.696 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.263 2.897 -14.708 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.707 5.094 -11.712 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.023 4.947 -11.156 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.397 5.879 -12.625 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -12.525 3.837 -14.634 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.181 2.927 -13.144 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -12.131 4.706 -13.132 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.120 2.275 -11.522 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.323 2.019 -10.340 1.00 0.00 C ATOM 2022 C ILE B 145 -4.840 2.020 -10.689 1.00 0.00 C ATOM 2023 O ILE B 145 -4.017 2.413 -9.897 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.749 0.707 -9.576 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.996 0.577 -8.246 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.541 -0.538 -10.423 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.454 -0.583 -7.394 1.00 0.00 C ATOM 0 H ILE B 145 -7.675 1.479 -11.835 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.514 2.834 -9.642 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.816 0.792 -9.369 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.931 0.466 -8.452 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.116 1.501 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.847 -1.418 -9.858 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.139 -0.464 -11.331 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.487 -0.626 -10.688 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.874 -0.608 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.511 -0.464 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.308 -1.515 -7.940 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.513 1.604 -11.899 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.142 1.663 -12.357 1.00 0.00 C ATOM 2041 C ARG B 146 -2.711 3.128 -12.445 1.00 0.00 C ATOM 2042 O ARG B 146 -1.758 3.539 -11.788 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.001 0.960 -13.720 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.579 0.903 -14.264 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.500 0.088 -15.551 1.00 0.00 C ATOM 2046 NE ARG B 146 -2.243 0.705 -16.654 1.00 0.00 N ATOM 2047 CZ ARG B 146 -3.002 0.052 -17.547 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -3.203 -1.259 -17.429 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -3.561 0.720 -18.552 1.00 0.00 N ATOM 0 H ARG B 146 -5.175 1.225 -12.576 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.494 1.144 -11.651 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.382 -0.057 -13.630 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.632 1.473 -14.445 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.220 1.915 -14.451 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -0.920 0.465 -13.515 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.455 -0.027 -15.841 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.892 -0.912 -15.368 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.177 1.718 -16.751 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -2.779 -1.772 -16.656 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -3.781 -1.750 -18.111 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -3.412 1.725 -18.642 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -4.139 0.227 -19.233 1.00 0.00 H new ATOM 2063 N SER B 147 -3.490 3.901 -13.187 1.00 0.00 N ATOM 2064 CA SER B 147 -3.232 5.307 -13.442 1.00 0.00 C ATOM 2065 C SER B 147 -3.171 6.149 -12.147 1.00 0.00 C ATOM 2066 O SER B 147 -2.248 6.935 -11.958 1.00 0.00 O ATOM 2067 CB SER B 147 -4.329 5.850 -14.398 1.00 0.00 C ATOM 2068 OG SER B 147 -4.117 7.211 -14.781 1.00 0.00 O ATOM 0 H SER B 147 -4.338 3.558 -13.638 1.00 0.00 H new ATOM 0 HA SER B 147 -2.249 5.393 -13.905 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.363 5.228 -15.293 1.00 0.00 H new ATOM 0 HB3 SER B 147 -5.301 5.763 -13.912 1.00 0.00 H new ATOM 0 HG SER B 147 -4.836 7.497 -15.382 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.158 6.013 -11.298 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.231 6.826 -10.099 1.00 0.00 C ATOM 2076 C GLU B 148 -3.362 6.321 -8.958 1.00 0.00 C ATOM 2077 O GLU B 148 -2.690 7.111 -8.288 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.672 6.977 -9.643 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.543 7.716 -10.634 1.00 0.00 C ATOM 2080 CD GLU B 148 -6.032 9.103 -10.901 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -6.260 9.997 -10.065 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -5.413 9.335 -11.955 1.00 0.00 O ATOM 0 H GLU B 148 -4.924 5.349 -11.410 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.829 7.801 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.095 5.988 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.690 7.506 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -6.584 7.157 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -7.562 7.772 -10.251 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.365 5.028 -8.746 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.710 4.450 -7.598 1.00 0.00 C ATOM 2091 C LEU B 149 -1.211 4.285 -7.751 1.00 0.00 C ATOM 2092 O LEU B 149 -0.491 4.274 -6.753 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.474 3.186 -7.094 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.805 2.263 -6.063 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -3.866 1.538 -5.249 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -1.938 1.224 -6.770 1.00 0.00 C ATOM 0 H LEU B 149 -3.818 4.350 -9.359 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.774 5.179 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.419 3.523 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.717 2.580 -7.967 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.185 2.874 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.383 0.886 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.486 2.267 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.489 0.940 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.469 0.576 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.559 0.624 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.166 1.729 -7.351 1.00 0.00 H new ATOM 2108 N MET B 150 -0.709 4.168 -8.959 1.00 0.00 N ATOM 2109 CA MET B 150 0.718 4.071 -9.093 1.00 0.00 C ATOM 2110 C MET B 150 1.240 4.638 -10.390 1.00 0.00 C ATOM 2111 O MET B 150 0.482 5.137 -11.212 1.00 0.00 O ATOM 2112 CB MET B 150 1.270 2.676 -8.716 1.00 0.00 C ATOM 2113 CG MET B 150 0.730 1.468 -9.488 1.00 0.00 C ATOM 2114 SD MET B 150 1.278 1.379 -11.201 1.00 0.00 S ATOM 2115 CE MET B 150 0.655 -0.231 -11.663 1.00 0.00 C ATOM 0 H MET B 150 -1.244 4.139 -9.827 1.00 0.00 H new ATOM 0 HA MET B 150 1.138 4.734 -8.337 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.353 2.698 -8.841 1.00 0.00 H new ATOM 0 HB3 MET B 150 1.075 2.512 -7.656 1.00 0.00 H new ATOM 0 HG2 MET B 150 1.035 0.557 -8.973 1.00 0.00 H new ATOM 0 HG3 MET B 150 -0.359 1.496 -9.468 1.00 0.00 H new ATOM 0 HE1 MET B 150 0.898 -0.429 -12.707 1.00 0.00 H new ATOM 0 HE2 MET B 150 1.113 -0.993 -11.033 1.00 0.00 H new ATOM 0 HE3 MET B 150 -0.427 -0.254 -11.532 1.00 0.00 H new ATOM 2125 N ASP B 151 2.525 4.623 -10.547 1.00 0.00 N ATOM 2126 CA ASP B 151 3.147 5.252 -11.684 1.00 0.00 C ATOM 2127 C ASP B 151 3.562 4.195 -12.674 1.00 0.00 C ATOM 2128 O ASP B 151 4.401 3.352 -12.367 1.00 0.00 O ATOM 2129 CB ASP B 151 4.358 6.065 -11.220 1.00 0.00 C ATOM 2130 CG ASP B 151 4.946 6.948 -12.299 1.00 0.00 C ATOM 2131 OD1 ASP B 151 5.789 6.484 -13.076 1.00 0.00 O ATOM 2132 OD2 ASP B 151 4.615 8.153 -12.340 1.00 0.00 O ATOM 0 H ASP B 151 3.176 4.179 -9.899 1.00 0.00 H new ATOM 0 HA ASP B 151 2.441 5.927 -12.168 1.00 0.00 H new ATOM 0 HB2 ASP B 151 4.065 6.686 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP B 151 5.128 5.382 -10.862 1.00 0.00 H new ATOM 2137 N ALA B 152 2.952 4.211 -13.823 1.00 0.00 N ATOM 2138 CA ALA B 152 3.248 3.260 -14.856 1.00 0.00 C ATOM 2139 C ALA B 152 3.377 3.992 -16.167 1.00 0.00 C ATOM 2140 O ALA B 152 4.504 4.362 -16.543 1.00 0.00 O ATOM 2141 CB ALA B 152 2.159 2.195 -14.932 1.00 0.00 C ATOM 2142 OXT ALA B 152 2.351 4.268 -16.803 1.00 0.00 O ATOM 0 H ALA B 152 2.231 4.888 -14.072 1.00 0.00 H new ATOM 0 HA ALA B 152 4.187 2.754 -14.631 1.00 0.00 H new ATOM 0 HB1 ALA B 152 2.401 1.483 -15.721 1.00 0.00 H new ATOM 0 HB2 ALA B 152 2.095 1.672 -13.978 1.00 0.00 H new ATOM 0 HB3 ALA B 152 1.202 2.668 -15.151 1.00 0.00 H new TER 2148 ALA B 152